N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)S(=O)(=O)NC)C

InChI

InChI=1S/C21H26N4O3S2/c1-13-11-15(12-19(14(13)2)30(27,28)22-3)21(26)25-18(9-10-29-4)20-23-16-7-5-6-8-17(16)24-20/h5-8,11-12,18,22H,9-10H2,1-4H3,(H,23,24)(H,25,26)