N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylthio)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-2-(cyanomethylthio)-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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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=C4Cl)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC#N

InChI

InChI=1S/C26H21ClN4O2S/c27-22-9-5-4-8-20(22)17-29-24(32)19-10-11-21-23(16-19)30-26(34-15-13-28)31(25(21)33)14-12-18-6-2-1-3-7-18/h1-11,16H,12,14-15,17H2,(H,29,32)