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

Systemtic Name: N-(3-chlorophenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-2-(phenacylthio)-3-phenyl-quinazoline-7-carboxamide Formula: C29H20ClN3O3S MolecularWeight: 526.0054

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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)NC4=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)NC4=CC(=CC=C4)Cl)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN3O3S/c30-21-10-7-11-22(17-21)31-27(35)20-14-15-24-25(16-20)32-29(33(28(24)36)23-12-5-2-6-13-23)37-18-26(34)19-8-3-1-4-9-19/h1-17H,18H2,(H,31,35)