ethyl 4-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-[(4-carbethoxyphenyl)thiocarbamoyl]-4-piperidyl]piperidine-1-carboxylic acid ethyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H33N3O4S/c1-3-29-21(27)19-5-7-20(8-6-19)24-22(31)25-13-9-17(10-14-25)18-11-15-26(16-12-18)23(28)30-4-2/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,24,31)