2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3,4-dimethoxyphenyl)-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C31H25N5O4S MolecularWeight: 563.6263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6)OC

InChI

InChI=1S/C31H25N5O4S/c1-39-26-15-13-20(17-27(26)40-2)32-29(37)19-12-14-22-25(16-19)35-31(36(30(22)38)21-8-4-3-5-9-21)41-18-28-33-23-10-6-7-11-24(23)34-28/h3-17H,18H2,1-2H3,(H,32,37)(H,33,34)