60604934 -OEChem-05082415262D 67 70 0 0 0 0 0 0 0999 V2000 7.0659 0.6071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0768 0.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 -1.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -1.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1758 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9777 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9533 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2002 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5768 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5768 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0768 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2107 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2107 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4787 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4787 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6127 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1486 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -1.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5558 0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0378 0.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1157 0.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5977 0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5667 2.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3947 1.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7588 1.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5868 2.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7147 3.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0182 2.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1354 2.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4388 3.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2888 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6873 -0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 0.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7477 -2.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -3.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -2.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0112 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 -1.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -1.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 -1.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5048 0.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -1.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -1.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -2.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 -3.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 0.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -0.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 27 1 0 0 0 0 2 22 2 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 31 1 0 0 0 0 4 34 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 55 1 0 0 0 0 7 24 1 0 0 0 0 7 25 2 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 32 2 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > 60604934 > 1 > 616 > 6 > 1 > 9 > AAADcfB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAAB0AAAHgQQAAAADAzF3gayh5PIFAisAyVyVACC+KBhKjgIiLU+rJgNJrqk9RuEMCpk1hGqqAew0FIOIAADAAAAQABAAAYAAACAAAAAAAAAAA== > N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide > N-[[3-(1-azepanylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]acetamide > N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide > N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide > N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanamide > N-[3-(azepan-1-ylmethyl)benzyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide > InChI=1S/C27H33N3O3S/c1-32-24-11-10-22(15-25(24)33-2)27-29-23(19-34-27)16-26(31)28-17-20-8-7-9-21(14-20)18-30-12-5-3-4-6-13-30/h7-11,14-15,19H,3-6,12-13,16-18H2,1-2H3,(H,28,31) > SEARPRNGCIYUDC-UHFFFAOYSA-N > 4.3 > 479.22426310 > C27H33N3O3S > 479.6 > COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC(=CC=C3)CN4CCCCCC4)OC > COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC(=CC=C3)CN4CCCCCC4)OC > 91.9 > 479.22426310 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 25 8 1 27 8 15 16 8 15 17 8 16 18 8 17 19 8 18 20 8 19 20 8 24 27 8 26 28 8 26 29 8 28 30 8 29 32 8 30 31 8 31 32 8 7 24 8 7 25 8 $$$$