methyl 4-[3-(2-methylsulfanylethyl)-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[3-(2-methylsulfanylethyl)-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[3-(2-methylsulfanylethyl)-2-oxo-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-[2-(methylthio)ethyl]-2-oxo-4-(4-piperidinyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(2-methylsulfanylethyl)-2-oxo-4-piperidin-4-ylbenzimidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-[2-(methylthio)ethyl]-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2C3=CC=CC(=C3N(C2=O)CCSC)C4CCNCC4

Isomeric SMILES

COC(=O)N1CCC(CC1)N2C3=CC=CC(=C3N(C2=O)CCSC)C4CCNCC4

InChI

InChI=1S/C22H32N4O3S/c1-29-22(28)24-12-8-17(9-13-24)26-19-5-3-4-18(16-6-10-23-11-7-16)20(19)25(21(26)27)14-15-30-2/h3-5,16-17,23H,6-15H2,1-2H3