N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H26N4O3S3 MolecularWeight: 478.65114

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O3S3/c1-29-14-10-18(20-22-16-5-2-3-6-17(16)23-20)24-21(26)15-8-11-25(12-9-15)31(27,28)19-7-4-13-30-19/h2-7,13,15,18H,8-12,14H2,1H3,(H,22,23)(H,24,26)