4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C22H22N4O2S/c23-13-16-29-22-25-19-10-5-4-9-18(19)21(28)26(22)15-6-11-20(27)24-14-12-17-7-2-1-3-8-17/h1-5,7-10H,6,11-12,14-16H2,(H,24,27)