ethyl 1-[(4-phenoxyphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-phenoxyphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-phenoxyphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-phenoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-phenoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-phenoxyphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-25-20(24)16-7-6-14-23(15-16)21(27)22-17-10-12-19(13-11-17)26-18-8-4-3-5-9-18/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,22,27)