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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-esyl-isonipecotamide Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H28N4O3S2/c1-3-28(25,26)23-11-8-14(9-12-23)19(24)22-17(10-13-27-2)18-20-15-6-4-5-7-16(15)21-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,20,21)(H,22,24)