ethyl 4-oxidanylidene-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[(4-phenylazophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-phenylazophenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O3S/c1-2-26-18(25)13-12-17(24)21-19(27)20-14-8-10-16(11-9-14)23-22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H2,20,21,24,27)