N-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-keto-2-(phenacylthio)-3-phenyl-quinazoline-7-carboxamide Formula: C30H22ClN3O3S MolecularWeight: 540.03198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C30H22ClN3O3S/c31-25-14-8-7-11-22(25)18-32-28(36)21-15-16-24-26(17-21)33-30(34(29(24)37)23-12-5-2-6-13-23)38-19-27(35)20-9-3-1-4-10-20/h1-17H,18-19H2,(H,32,36)