2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide Openeye Name: 4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-(1-propyl-2-benzimidazolyl)butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide Traditional Name: 4-(methylthio)-N-(1-propylbenzimidazol-2-yl)-2-(tosylamino)butyramide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C(CCSC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C(CCSC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O3S2/c1-4-14-26-20-8-6-5-7-18(20)23-22(26)24-21(27)19(13-15-30-3)25-31(28,29)17-11-9-16(2)10-12-17/h5-12,19,25H,4,13-15H2,1-3H3,(H,23,24,27)