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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N(C)CC4=CC=CC=C4)N=C2SCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N(C)CC4=CC=CC=C4)N=C2SCC#N)C

InChI

InChI=1S/C27H24N4O2S/c1-18-13-19(2)15-22(14-18)31-26(33)23-10-9-21(16-24(23)29-27(31)34-12-11-28)25(32)30(3)17-20-7-5-4-6-8-20/h4-10,13-16H,12,17H2,1-3H3