ethyl N'-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioate

Systemtic Name: ethyl N'-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioate Openeye Name: 2-ethyl-3-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)isothiourea CAS Name: N'-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioate Traditional Name: 2-ethyl-3-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)isothiourea Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC2=C(C=C1)NC3=CC=CC=C3NC2=O)N

Isomeric SMILES

CCSC(=NC1=CC2=C(C=C1)NC3=CC=CC=C3NC2=O)N

InChI

InChI=1S/C16H16N4OS/c1-2-22-16(17)18-10-7-8-12-11(9-10)15(21)20-14-6-4-3-5-13(14)19-12/h3-9,19H,2H2,1H3,(H2,17,18)(H,20,21)