ethyl 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H28N4O3S/c1-3-27-20(26)24-11-8-14(9-12-24)19(25)23-17(10-13-28-2)18-21-15-6-4-5-7-16(15)22-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,21,22)(H,23,25)/t17-/m0/s1