69926984 -OEChem-04242407392D 56 59 0 1 0 0 0 0 0999 V2000 5.6742 0.2720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 -0.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 4.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -2.8366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7968 -1.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7405 -3.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7627 -1.9880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6287 -1.4880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3678 -4.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1394 -4.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 -3.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3982 -3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 -0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3132 0.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8649 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3473 0.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8990 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6402 0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 2.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 3.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7586 -4.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6818 -1.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2487 -1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7894 -4.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6022 -4.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9445 -4.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7334 -4.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8315 -2.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 -3.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9922 -3.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5932 -2.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4864 -0.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0480 0.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 -0.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3584 -2.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 0.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0254 -1.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 1.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4606 -1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 1.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 3.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 3.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 2.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 4.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 4.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 15 2 0 0 0 0 3 28 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 8 5 1 1 0 0 0 5 15 1 0 0 0 0 5 44 1 0 0 0 0 6 25 1 0 0 0 0 6 28 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 6 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END > 69926984 > 1 > 585 > 4 > 2 > 5 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgQQAAAADSjB2AQywYPAAAiIAiVSUACCAAAlChAIiJkIZMgIYDLglZGUIQxglgDoyYcYiACOEAAAACAAAAAgAAAAQAAAAAAAAAAAAA== > 4-(3-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methylquinuclidin-3-yl]benzamide > 4-[(3-acetamidophenyl)thio]-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-(3-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-(3-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-(3-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-[(3-acetamidophenyl)thio]-N-[(2S,3R)-2-methylquinuclidin-3-yl]benzamide > InChI=1S/C23H27N3O2S/c1-15-22(17-10-12-26(15)13-11-17)25-23(28)18-6-8-20(9-7-18)29-21-5-3-4-19(14-21)24-16(2)27/h3-9,14-15,17,22H,10-13H2,1-2H3,(H,24,27)(H,25,28)/t15-,22-/m0/s1 > JUKOJONEKPWAPL-NYHFZMIOSA-N > 3.5 > 409.18239829 > C23H27N3O2S > 409.5 > CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)NC(=O)C > C[C@H]1[C@@H](C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)NC(=O)C > 86.7 > 409.18239829 > 0 > 29 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 16 18 8 17 19 8 18 20 8 19 21 8 20 21 8 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 8 5 5 9 14 6 $$$$