ethyl 1-(6H-indolo[3,2-b]quinoxalin-9-ylcarbamothioyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(6H-indolo[3,2-b]quinoxalin-9-ylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6H-indolo[3,2-b]quinoxalin-9-ylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6H-indolo[3,2-b]quinoxalin-9-ylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(6H-indolo[3,2-b]quinoxalin-9-ylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C23H23N5O2S MolecularWeight: 433.52602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)NC4=NC5=CC=CC=C5N=C34

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)NC4=NC5=CC=CC=C5N=C34

InChI

InChI=1S/C23H23N5O2S/c1-2-30-22(29)14-9-11-28(12-10-14)23(31)24-15-7-8-17-16(13-15)20-21(26-17)27-19-6-4-3-5-18(19)25-20/h3-8,13-14H,2,9-12H2,1H3,(H,24,31)(H,26,27)