N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(diethylsulfamoyl)-4-methyl-benzamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(diethylsulfamoyl)-4-methyl-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(diethylsulfamoyl)-4-methyl-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(diethylsulfamoyl)-4-methylbenzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(diethylsulfamoyl)-4-methylbenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(diethylsulfamoyl)-4-methyl-benzamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S2/c1-5-27(6-2)32(29,30)21-15-17(12-11-16(21)3)23(28)26-20(13-14-31-4)22-24-18-9-7-8-10-19(18)25-22/h7-12,15,20H,5-6,13-14H2,1-4H3,(H,24,25)(H,26,28)