2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(3,5-dimethylphenyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-(3,5-dimethylphenyl)-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4)C

InChI

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