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

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-N,3-bis(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N,3-dibenzyl-2-(cyanomethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-N,3-bis(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N,3-dibenzyl-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N,3-dibenzyl-2-(cyanomethylthio)-4-keto-quinazoline-7-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H20N4O2S/c26-13-14-32-25-28-22-15-20(23(30)27-16-18-7-3-1-4-8-18)11-12-21(22)24(31)29(25)17-19-9-5-2-6-10-19/h1-12,15H,14,16-17H2,(H,27,30)