2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-isopropyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-3-phenethyl-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-4-oxo-3-phenethyl-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-isopropyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2S/c1-15(2)24-20(27)17-8-9-18-19(14-17)25-22(29-13-11-23)26(21(18)28)12-10-16-6-4-3-5-7-16/h3-9,14-15H,10,12-13H2,1-2H3,(H,24,27)