ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(3-carbethoxyphenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C18H25N3O4S/c1-3-24-16(22)13-6-5-7-15(12-13)20-17(26)19-14-8-10-21(11-9-14)18(23)25-4-2/h5-7,12,14H,3-4,8-11H2,1-2H3,(H2,19,20,26)