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

Systemtic Name: methyl 4-[4-[3-(methylsulfanylmethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-[3-(methylsulfanylmethyl)-2-oxo-benzimidazol-1-yl]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[3-[(methylthio)methyl]-2-oxo-1-benzimidazolyl]-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3-(methylsulfanylmethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-keto-3-[(methylthio)methyl]benzimidazol-1-yl]piperidino]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)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CSC

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CSC

InChI

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