N-(2-cyanoethyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H24N4O3S/c1-19-11-13-20(14-12-19)30(16-6-15-28)25(32)18-35-27-29-24-10-4-3-9-23(24)26(33)31(27)21-7-5-8-22(17-21)34-2/h3-5,7-14,17H,6,16,18H2,1-2H3