60508805 -OEChem-05102407592D 64 67 0 1 0 0 0 0 0999 V2000 12.4583 -0.9625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5846 2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 -0.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 -2.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 -1.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3258 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 0.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -2.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 0.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 -1.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 1.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 0.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7228 0.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -1.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -3.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1824 2.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 3.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5889 1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2324 0.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4593 1.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6124 1.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 13 2 0 0 0 0 3 23 2 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 41 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 6 31 1 0 0 0 0 7 19 1 0 0 0 0 7 31 1 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 14 27 1 0 0 0 0 14 42 1 0 0 0 0 15 28 1 0 0 0 0 15 43 1 0 0 0 0 16 29 2 0 0 0 0 16 44 1 0 0 0 0 17 30 2 0 0 0 0 17 45 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 34 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 32 2 0 0 0 0 27 54 1 0 0 0 0 28 33 2 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > 60508805 > 1 > 717 > 4 > 2 > 9 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxUAAAHgQQAAAADSjhmAYzwIPABACMAiVSUACCAAAlAgkIiIEIZMiIIDrA1ZGEIYhqlwLIyecciMCOwAAAQAACAACAAACAAAQAAAAAAAAAAA== > 3-(3-methoxypropyl)-N-(1-methyl-2,2-diphenyl-ethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide > N-(1,1-diphenylpropan-2-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide > N-(1,1-diphenylpropan-2-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide > N-(1,1-diphenylpropan-2-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide > N-(1,1-diphenylpropan-2-yl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide > 4-keto-3-(3-methoxypropyl)-N-(1-methyl-2,2-diphenyl-ethyl)-2-thioxo-1H-quinazoline-7-carboxamide > InChI=1S/C28H29N3O3S/c1-19(25(20-10-5-3-6-11-20)21-12-7-4-8-13-21)29-26(32)22-14-15-23-24(18-22)30-28(35)31(27(23)33)16-9-17-34-2/h3-8,10-15,18-19,25H,9,16-17H2,1-2H3,(H,29,32)(H,30,35) > CGPFLABBSUSELK-UHFFFAOYSA-N > 4.6 > 487.19296297 > C28H29N3O3S > 487.6 > CC(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC > CC(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC > 103 > 487.19296297 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 16 8 11 15 8 11 17 8 14 27 8 15 28 8 16 29 8 17 30 8 18 22 8 18 24 8 19 20 8 19 22 8 20 23 8 20 25 8 24 25 8 27 32 8 28 33 8 29 32 8 30 33 8 6 23 8 6 31 8 7 19 8 7 31 8 9 12 3 $$$$