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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-N,3-bis(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N,3-dibenzyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-N,3-bis(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N,3-dibenzyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N,3-dibenzyl-4-keto-quinazoline-7-carboxamide Formula: C31H25N5O2S MolecularWeight: 531.6275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)CC6=CC=CC=C6

InChI

InChI=1S/C31H25N5O2S/c37-29(32-18-21-9-3-1-4-10-21)23-15-16-24-27(17-23)35-31(36(30(24)38)19-22-11-5-2-6-12-22)39-20-28-33-25-13-7-8-14-26(25)34-28/h1-17H,18-20H2,(H,32,37)(H,33,34)