ethyl 1-[(4-phenylazanylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-phenylazanylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-anilinophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-anilinoanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-anilinophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-anilinophenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-2-26-20(25)16-12-14-24(15-13-16)21(27)23-19-10-8-18(9-11-19)22-17-6-4-3-5-7-17/h3-11,16,22H,2,12-15H2,1H3,(H,23,27)