methyl 4-[(4-phenyldiazenylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(4-phenyldiazenylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-phenylazophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-phenyldiazenylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(4-phenylazophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3S/c1-29-21(28)16-9-7-15(8-10-16)20(27)24-22(30)23-17-11-13-19(14-12-17)26-25-18-5-3-2-4-6-18/h2-14H,1H3,(H2,23,24,27,30)