67927898 -OEChem-04182403252D 63 66 0 1 0 0 0 0 0999 V2000 4.6660 -3.3280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 -0.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 1.6059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.3280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -1.8005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8000 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6765 2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9235 2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 -1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 0.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 1.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -0.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 2.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 1.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 3.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 3.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 2.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 3.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 3.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -0.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 0.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -3.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0665 -2.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3249 -0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5278 -0.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 -2.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1965 -2.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9723 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 -0.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 -0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 27 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 39 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 14 1 1 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 2 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 20 50 1 0 0 0 0 21 24 2 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > 67927898 > 1 > 559 > 4 > 2 > 6 > AAADcfB7IABAAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAACxQAAAHgQQAAAADCjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIHLg1ZGEIQhglgDoyYcciICOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > 10-[(1R)-2-(azepan-2-yl)-1-methyl-ethyl]-N-propyl-phenothiazine-2-carboxamide > 10-[(2R)-1-(2-azepanyl)propan-2-yl]-N-propyl-2-phenothiazinecarboxamide > 10-[(2R)-1-(azepan-2-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide > 10-[(2R)-1-(azepan-2-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide > 10-[(2R)-1-(azepan-2-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide > 10-[(1R)-2-(azepan-2-yl)-1-methyl-ethyl]-N-propyl-phenothiazine-2-carboxamide > InChI=1S/C25H33N3OS/c1-3-14-27-25(29)19-12-13-24-22(17-19)28(21-10-6-7-11-23(21)30-24)18(2)16-20-9-5-4-8-15-26-20/h6-7,10-13,17-18,20,26H,3-5,8-9,14-16H2,1-2H3,(H,27,29)/t18-,20?/m1/s1 > KGDJLXSICSSMFE-QSVWIEALSA-N > 5.5 > 423.23443386 > C25H33N3OS > 423.6 > CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CC4CCCCCN4 > CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2[C@H](C)CC4CCCCCN4 > 69.7 > 423.23443386 > 0 > 30 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 17 8 15 19 8 16 18 8 16 20 8 17 21 8 18 23 8 19 22 8 20 25 8 21 24 8 22 24 8 23 26 8 25 26 8 6 7 3 9 14 5 $$$$