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

Systemtic Name: ethyl 4-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(2,3-diphenyl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,3-diphenylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2,3-diphenylquinoxalin-6-yl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H27N5O2S MolecularWeight: 497.61128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-2-35-28(34)33-17-15-32(16-18-33)27(36)29-22-13-14-23-24(19-22)31-26(21-11-7-4-8-12-21)25(30-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3,(H,29,36)