N-(2-cyanoethyl)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-phenyl-propionamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N(CCC#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N(CCC#N)C4=CC=CC=C4)C

InChI

InChI=1S/C28H26N4O2S/c1-19-14-15-25(20(2)18-19)32-27(34)23-12-7-8-13-24(23)30-28(32)35-21(3)26(33)31(17-9-16-29)22-10-5-4-6-11-22/h4-8,10-15,18,21H,9,17H2,1-3H3