(4-chlorophenyl)methyl (2R)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-ethanimidothioate

Systemtic Name: (4-chlorophenyl)methyl (2R)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-ethanimidothioate Openeye Name: (4-chlorophenyl)methyl (2R)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-ethanimidothioate CAS Name: (2R)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenylethanimidothioic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl (2R)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenylethanimidothioate Traditional Name: (2R)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-thioacetimidic acid (4-chlorobenzyl) ester Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(C(C#N)C2=NC3=CC=CC=C3N2)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N=C([C@H](C#N)C2=NC3=CC=CC=C3N2)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN4S/c24-17-12-10-16(11-13-17)15-29-23(26-18-6-2-1-3-7-18)19(14-25)22-27-20-8-4-5-9-21(20)28-22/h1-13,19H,15H2,(H,27,28)/t19-/m1/s1