2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-benzyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C32H27N5O2S MolecularWeight: 545.65408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C32H27N5O2S/c38-30(33-20-23-11-5-2-6-12-23)24-15-16-25-28(19-24)36-32(37(31(25)39)18-17-22-9-3-1-4-10-22)40-21-29-34-26-13-7-8-14-27(26)35-29/h1-16,19H,17-18,20-21H2,(H,33,38)(H,34,35)