N-butyl-2-(3-cyano-2-oxidanylidene-3-phenyl-propyl)sulfanyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-(3-cyano-2-oxidanylidene-3-phenyl-propyl)sulfanyl-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-(3-cyano-2-oxo-3-phenyl-propyl)sulfanyl-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[(3-cyano-2-oxo-3-phenylpropyl)thio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-(3-cyano-2-oxo-3-phenylpropyl)sulfanyl-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[(3-cyano-2-keto-3-phenyl-propyl)thio]-3H-benzimidazole-5-sulfonamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-2-3-11-23-30(27,28)16-9-10-18-19(12-16)25-21(24-18)29-14-20(26)17(13-22)15-7-5-4-6-8-15/h4-10,12,17,23H,2-3,11,14H2,1H3,(H,24,25)