60602296 -OEChem-05241301222D 67 70 0 0 0 0 0 0 0999 V2000 4.8903 -1.5989 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -6.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 4.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 0.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 -2.2570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7682 5.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5701 5.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 6.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7926 6.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1691 6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1691 6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -2.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5594 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -5.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -5.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7081 4.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 5.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 5.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6302 4.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1591 6.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9870 5.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3512 5.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1792 6.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7277 7.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0312 7.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3071 7.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6105 7.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8812 3.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2797 3.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 1.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 4.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 1.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5341 3.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 2.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 1.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 -1.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9496 -0.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4305 -0.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -2.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -4.1227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -5.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -3.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -3.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -4.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 -7.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 -7.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -6.5637 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 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 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 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 17 20 2 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 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 > 60602296 > 1 > 608 > 6 > 1 > 9 > AAADcfB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAAB0AAAHgQQAAAADAzF3gayh5PIFAisAyVyVACC+KBhKjgIiLU+rJgNJrqk9RuEMCpk1hGqqAew0BIOYAABAAAAQADAAAIAAACAAAAAAAAAAA== > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide > N-[[4-(1-azepanylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]acetamide > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanamide > N-[4-(azepan-1-ylmethyl)benzyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide > InChI=1S/C27H33N3O3S/c1-32-24-12-11-22(15-25(24)33-2)27-29-23(19-34-27)16-26(31)28-17-20-7-9-21(10-8-20)18-30-13-5-3-4-6-14-30/h7-12,15,19H,3-6,13-14,16-18H2,1-2H3,(H,28,31) > PKFBLXJWXICXMI-UHFFFAOYSA-N > 4.3 > 479.224263 > C27H33N3O3S > 479.63422 > COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)CN4CCCCCC4)OC > COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)CN4CCCCCC4)OC > 91.9 > 479.224263 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 1 25 8 1 27 8 15 16 8 15 17 8 16 19 8 17 20 8 18 19 8 18 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 $$$$