N-(2-cyanoethyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N(CCC#N)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N(CCC#N)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H24N4O2S/c1-15-6-9-20-19(12-15)22(29)26(4)23(25-20)30-14-21(28)27(11-5-10-24)18-8-7-16(2)17(3)13-18/h6-9,12-13H,5,11,14H2,1-4H3