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

Systemtic Name: ethyl (3S)-1-[(4-phenylazanylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-anilinophenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-anilinoanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-anilinophenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(4-anilinophenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-2-26-20(25)16-7-6-14-24(15-16)21(27)23-19-12-10-18(11-13-19)22-17-8-4-3-5-9-17/h3-5,8-13,16,22H,2,6-7,14-15H2,1H3,(H,23,27)/t16-/m0/s1