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

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(2-chlorobenzyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-14-7-3-1-5-12(14)11-20-16(23)9-10-22-17(24)13-6-2-4-8-15(13)21-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,25)