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

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(cyanomethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(cyanomethylsulfanyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-benzyl-2-(cyanomethylthio)-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC#N

InChI

InChI=1S/C26H22N4O2S/c27-14-16-33-26-29-23-17-21(24(31)28-18-20-9-5-2-6-10-20)11-12-22(23)25(32)30(26)15-13-19-7-3-1-4-8-19/h1-12,17H,13,15-16,18H2,(H,28,31)