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

Systemtic Name: methyl 4-[3-(methylsulfanylmethyl)-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[3-(methylsulfanylmethyl)-2-oxo-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-[(methylthio)methyl]-2-oxo-4-(4-piperidinyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(methylsulfanylmethyl)-2-oxo-4-piperidin-4-ylbenzimidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-[(methylthio)methyl]-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-28-21(27)23-12-8-16(9-13-23)25-18-5-3-4-17(15-6-10-22-11-7-15)19(18)24(14-29-2)20(25)26/h3-5,15-16,22H,6-14H2,1-2H3