S-[3-[2-[[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[2-[[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[2-[[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[2-[[[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-6,7-dimethoxy-4-quinazolinyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[2-[[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[2-[[6,7-dimethoxy-2-(4-veratroylpiperazino)quinazolin-4-yl]carbamoyl]pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C39H44N6O8S MolecularWeight: 756.86706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)N5CCN(CC5)C(=O)C6=CC(=C(C=C6)OC)OC

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)N5CCN(CC5)C(=O)C6=CC(=C(C=C6)OC)OC

InChI

InChI=1S/C39H44N6O8S/c1-24(23-54-38(49)25-10-7-6-8-11-25)36(47)45-15-9-12-29(45)35(46)41-34-27-21-32(52-4)33(53-5)22-28(27)40-39(42-34)44-18-16-43(17-19-44)37(48)26-13-14-30(50-2)31(20-26)51-3/h6-8,10-11,13-14,20-22,24,29H,9,12,15-19,23H2,1-5H3,(H,40,41,42,46)