N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]-N-(p-tolyl)acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H18N4O2S/c1-14-7-9-15(10-8-14)24(12-4-11-21)18(25)13-27-20-22-17-6-3-2-5-16(17)19(26)23-20/h2-3,5-10H,4,12-13H2,1H3,(H,22,23,26)