3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylphenyl)propanamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylphenyl)propanamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(p-tolyl)propanamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylphenyl)propanamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylphenyl)propanamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(p-tolyl)propionamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C18H16ClN3O2S/c1-11-2-5-13(6-3-11)20-16(23)8-9-22-17(24)14-7-4-12(19)10-15(14)21-18(22)25/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,25)