N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(propylsulfonylamino)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O3S2/c1-3-13-30(27,28)25-16-8-6-7-15(14-16)21(26)24-19(11-12-29-2)20-22-17-9-4-5-10-18(17)23-20/h4-10,14,19,25H,3,11-13H2,1-2H3,(H,22,23)(H,24,26)