3240101 -OEChem-05231323582D 67 71 0 0 0 0 0 0 0999 V2000 12.3923 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8843 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8843 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8772 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8772 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3261 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3261 1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 4 33 1 0 0 0 0 4 35 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 56 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 26 57 1 0 0 0 0 27 31 2 0 0 0 0 27 58 1 0 0 0 0 28 32 1 0 0 0 0 28 59 1 0 0 0 0 29 34 1 0 0 0 0 29 60 1 0 0 0 0 30 33 2 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 34 2 0 0 0 0 32 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 3240101 > 1 > 770 > 5 > 1 > 5 > AAADcfB7sABAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACxQAAAHgQQAAAADQzBmAYzxoPABACMAiVSUACCCAAlIgkIiAEObMiMZjrE9ZuUMahs1xPI6ee4yACOAEAAAAACAACAgAAAAAQAAAAAAAAAAA== > 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one > 3-[[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one > 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one > 3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one > 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one > InChI=1S/C27H32N4O3S/c1-34-22-12-10-21(11-13-22)29-14-16-30(17-15-29)25(32)20-8-6-19(7-9-20)18-31-26(33)23-4-2-3-5-24(23)28-27(31)35/h2-5,10-13,19-20H,6-9,14-18H2,1H3,(H,28,35) > LOIZBJVKBCDYBR-UHFFFAOYSA-N > 3.7 > 492.219512 > C27H32N4O3S > 492.63298 > COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S > COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S > 97.2 > 492.219512 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 1 5 255 > 21 24 8 23 26 8 23 27 8 24 25 8 24 28 8 25 29 8 26 30 8 27 31 8 28 32 8 29 34 8 30 33 8 31 33 8 32 34 8 6 21 8 6 22 8 8 22 8 8 25 8 $$$$