ethyl 1-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(2,3-diphenyl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2,3-diphenylquinoxalin-6-yl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C29H28N4O2S MolecularWeight: 496.62322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S/c1-2-35-28(34)22-15-17-33(18-16-22)29(36)30-23-13-14-24-25(19-23)32-27(21-11-7-4-8-12-21)26(31-24)20-9-5-3-6-10-20/h3-14,19,22H,2,15-18H2,1H3,(H,30,36)