ethyl 4-(phenanthro[9,10-b]quinoxalin-11-ylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(phenanthro[9,10-b]quinoxalin-11-ylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(phenanthro[9,10-b]quinoxalin-11-ylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(11-phenanthro[9,10-b]quinoxalinylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(phenanthro[9,10-b]quinoxalin-11-ylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(phenanthro[9,10-b]quinoxalin-11-ylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C28H25N5O2S MolecularWeight: 495.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3

InChI

InChI=1S/C28H25N5O2S/c1-2-35-28(34)33-15-13-32(14-16-33)27(36)29-18-11-12-23-24(17-18)31-26-22-10-6-4-8-20(22)19-7-3-5-9-21(19)25(26)30-23/h3-12,17H,2,13-16H2,1H3,(H,29,36)