ethyl 4-[(4-phenyldiazenylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-phenyldiazenylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-phenylazophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenyldiazenylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-phenylazophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O2S/c1-2-28-21(27)16-8-10-17(11-9-16)23-22(29)24-18-12-14-20(15-13-18)26-25-19-6-4-3-5-7-19/h3-15H,2H2,1H3,(H2,23,24,29)