N-[(4-chlorophenyl)methyl]-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-propanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanamide Traditional Name: N-(4-chlorobenzyl)-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-propionamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C24H20ClN3O2S/c25-18-12-10-17(11-13-18)15-26-22(29)21(14-16-6-2-1-3-7-16)28-23(30)19-8-4-5-9-20(19)27-24(28)31/h1-13,21H,14-15H2,(H,26,29)(H,27,31)