3-ethyl-1,4-di(piperidin-4-yl)-5-(2-propylsulfanylpyridin-3-yl)carbonyl-benzimidazol-2-one

Systemtic Name: 3-ethyl-1,4-di(piperidin-4-yl)-5-(2-propylsulfanylpyridin-3-yl)carbonyl-benzimidazol-2-one Openeye Name: 3-ethyl-1,4-bis(4-piperidyl)-5-(2-propylsulfanylpyridine-3-carbonyl)benzimidazol-2-one CAS Name: 3-ethyl-5-[oxo-[2-(propylthio)-3-pyridinyl]methyl]-1,4-bis(4-piperidinyl)-2-benzimidazolone IUPAC Name: 3-ethyl-1,4-di(piperidin-4-yl)-5-(2-propylsulfanylpyridine-3-carbonyl)benzimidazol-2-one Traditional Name: 3-ethyl-1,4-bis(4-piperidyl)-5-[2-(propylthio)nicotinoyl]benzimidazol-2-one Formula: C28H37N5O2S MolecularWeight: 507.69068

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)C2=C(C3=C(C=C2)N(C(=O)N3CC)C4CCNCC4)C5CCNCC5

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)C2=C(C3=C(C=C2)N(C(=O)N3CC)C4CCNCC4)C5CCNCC5

InChI

InChI=1S/C28H37N5O2S/c1-3-18-36-27-22(6-5-13-31-27)26(34)21-7-8-23-25(24(21)19-9-14-29-15-10-19)32(4-2)28(35)33(23)20-11-16-30-17-12-20/h5-8,13,19-20,29-30H,3-4,9-12,14-18H2,1-2H3