57440259 -OEChem-05062423182D 59 61 0 1 0 0 0 0 0999 V2000 4.6660 -2.4827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -0.9552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8000 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5282 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6564 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 0.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 -0.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1965 -1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3249 0.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5278 0.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0665 -1.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2203 -1.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0663 -1.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8361 -0.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2764 0.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6540 1.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0364 0.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 24 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 19 1 0 0 0 0 5 24 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 18 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 26 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 M END > 57440259 > 1 > 512 > 4 > 1 > 7 > AAADceB7IABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgQQAAAADSjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYHLglZGUIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > 10-[(1R)-2-(dimethylamino)-1-methyl-ethyl]-N-isopentyl-phenothiazine-2-carboxamide > 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(3-methylbutyl)-2-phenothiazinecarboxamide > 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carboxamide > 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carboxamide > 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carboxamide > 10-[(1R)-2-(dimethylamino)-1-methyl-ethyl]-N-isoamyl-phenothiazine-2-carboxamide > InChI=1S/C23H31N3OS/c1-16(2)12-13-24-23(27)18-10-11-22-20(14-18)26(17(3)15-25(4)5)19-8-6-7-9-21(19)28-22/h6-11,14,16-17H,12-13,15H2,1-5H3,(H,24,27)/t17-/m1/s1 > FXBNLZLPAIXLIP-QGZVFWFLSA-N > 5.2 > 397.21878379 > C23H31N3OS > 397.6 > CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN(C)C > C[C@H](CN(C)C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)NCCC(C)C > 60.9 > 397.21878379 > 0 > 28 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 18 8 12 21 8 13 14 8 14 20 8 15 25 8 18 20 8 21 26 8 25 26 8 6 10 5 8 11 8 8 13 8 9 12 8 9 15 8 $$$$