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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-phenyl-propionamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S/c1-19-11-6-9-16-24(19)31-26(33)22-14-7-8-15-23(22)29-27(31)34-20(2)25(32)30(18-10-17-28)21-12-4-3-5-13-21/h3-9,11-16,20H,10,18H2,1-2H3