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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-keto-quinazoline-7-carboxamide Formula: C31H31N5O4S MolecularWeight: 569.67394

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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)C6CCCCC6)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)C6CCCCC6)OC

InChI

InChI=1S/C31H31N5O4S/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/h6-7,10-17,21H,3-5,8-9,18H2,1-2H3,(H,32,37)(H,33,34)