methyl 4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-(phenylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(E)-(phenylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-21-15(20)13-9-7-12(8-10-13)11-17-19-16(22)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,22)/b17-11+