69925425 -OEChem-05132418482D 56 59 0 1 0 0 0 0 0999 V2000 5.6049 0.8844 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1757 0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 2.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9299 -2.2242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7274 -1.1168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.4020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6711 -3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 -1.3756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5594 -0.8756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2984 -3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0701 -3.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9564 -2.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3289 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8182 0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4686 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5027 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2438 1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7956 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8296 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 3.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 3.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6892 -3.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6124 -0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1794 -0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 -4.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5329 -4.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8751 -4.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6640 -3.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7621 -2.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3706 -3.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9229 -2.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5238 -2.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4171 -0.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9786 0.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2193 0.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 -1.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 -1.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 1.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3912 -0.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 3.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 3.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 0.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 4.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 1.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 0.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 0.5154 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 23 1 0 0 0 0 6 28 1 0 0 0 0 6 52 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 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 53 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 > 69925425 > 1 > 585 > 4 > 2 > 5 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgQQAAAADSjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcYiACOEAAAAAAAAQAgAAAAAAACAAAAAAAAAA== > 4-(2-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methylquinuclidin-3-yl]benzamide > 4-[(2-acetamidophenyl)thio]-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-(2-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-(2-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-(2-acetamidophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide > 4-[(2-acetamidophenyl)thio]-N-[(2S,3R)-2-methylquinuclidin-3-yl]benzamide > InChI=1S/C23H27N3O2S/c1-15-22(17-11-13-26(15)14-12-17)25-23(28)18-7-9-19(10-8-18)29-21-6-4-3-5-20(21)24-16(2)27/h3-10,15,17,22H,11-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,22-/m0/s1 > DTDHGXCTWYKEPE-NYHFZMIOSA-N > 3.5 > 409.18239829 > C23H27N3O2S > 409.5 > CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4NC(=O)C > C[C@H]1[C@@H](C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4NC(=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 $$$$