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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3-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=C4)Cl)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=C4)Cl)C(=O)N2C5=CC=CC=C5

InChI

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