ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethylthio)-4-keto-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C30H28N6O4S MolecularWeight: 568.64612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C30H28N6O4S/c1-2-40-30(39)35-16-14-34(15-17-35)27(37)20-12-13-22-25(18-20)33-29(36(28(22)38)21-8-4-3-5-9-21)41-19-26-31-23-10-6-7-11-24(23)32-26/h3-13,18H,2,14-17,19H2,1H3,(H,31,32)