67927889 -OEChem-05112413482D 66 69 0 1 0 0 0 0 0999 V2000 4.6660 -3.0021 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.4979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -1.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5321 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -0.9646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3321 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 -1.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5282 -1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6564 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 1.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1754 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 1.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9065 3.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 3.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 3.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 3.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -0.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -0.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 -0.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 -1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1965 -1.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3249 -0.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5278 -0.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1315 -1.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9285 -1.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2764 0.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6540 0.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0364 0.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0665 -2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7043 -1.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 -0.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 -0.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 28 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 5 63 1 0 0 0 0 6 9 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 1 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 17 20 2 0 0 0 0 17 46 1 0 0 0 0 18 27 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 29 1 6 0 0 0 19 48 1 0 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 30 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 31 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 M END > 67927889 > 1 > 581 > 4 > 1 > 8 > AAADcfB7IABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACxQAAAHgQQAAAADSjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYHLglZGUIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > N-[(3R)-3-methylpentyl]-10-[(1R)-1-methyl-2-pyrrolidin-1-yl-ethyl]phenothiazine-2-carboxamide > N-[(3R)-3-methylpentyl]-10-[(2R)-1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarboxamide > N-[(3R)-3-methylpentyl]-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide > N-[(3R)-3-methylpentyl]-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide > N-[(3R)-3-methylpentyl]-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide > N-[(3R)-3-methylpentyl]-10-[(1R)-1-methyl-2-pyrrolidino-ethyl]phenothiazine-2-carboxamide > InChI=1S/C26H35N3OS/c1-4-19(2)13-14-27-26(30)21-11-12-25-23(17-21)29(20(3)18-28-15-7-8-16-28)22-9-5-6-10-24(22)31-25/h5-6,9-12,17,19-20H,4,7-8,13-16,18H2,1-3H3,(H,27,30)/t19-,20-/m1/s1 > UHEQJLURPBISIS-WOJBJXKFSA-N > 6.2 > 437.25008392 > C26H35N3OS > 437.6 > CCC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CCCC4 > CC[C@@H](C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2[C@H](C)CN4CCCC4 > 60.9 > 437.25008392 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 5 13 15 8 13 17 8 14 16 8 14 18 8 15 22 8 16 23 8 17 20 8 18 27 8 19 29 6 20 25 8 22 25 8 23 30 8 27 30 8 $$$$