2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(2-chlorophenyl)methyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(2-chlorophenyl)methyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-N-[(2-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-[(2-chlorophenyl)methyl]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-N-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-benzyl-N-(2-chlorobenzyl)-4-keto-quinazoline-7-carboxamide Formula: C31H24ClN5O2S MolecularWeight: 566.07256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C31H24ClN5O2S/c32-24-11-5-4-10-22(24)17-33-29(38)21-14-15-23-27(16-21)36-31(37(30(23)39)18-20-8-2-1-3-9-20)40-19-28-34-25-12-6-7-13-26(25)35-28/h1-16H,17-19H2,(H,33,38)(H,34,35)