methyl 4-(phenylazanylcarbamothioylcarbamothioyl)benzoate

Systemtic Name: methyl 4-(phenylazanylcarbamothioylcarbamothioyl)benzoate Openeye Name: methyl 4-(anilinocarbamothioylcarbamothioyl)benzoate CAS Name: 4-[[[(phenylhydrazo)-sulfanylidenemethyl]amino]-sulfanylidenemethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(anilinocarbamothioylcarbamothioyl)benzoate Traditional Name: 4-(anilinothiocarbamoylthiocarbamoyl)benzoic acid methyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=S)NC(=S)NNC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=S)NC(=S)NNC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S2/c1-21-15(20)12-9-7-11(8-10-12)14(22)17-16(23)19-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H2,17,19,22,23)