methyl 2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-26-18(24)16(9-12-27-2)22-19(25)23-10-7-13(8-11-23)17-20-14-5-3-4-6-15(14)21-17/h3-6,13,16H,7-12H2,1-2H3,(H,20,21)(H,22,25)