methyl 4-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-(benzylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[(E)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(E)-(benzylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O2S/c1-22-16(21)15-9-7-14(8-10-15)12-19-20-17(23)18-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,18,20,23)/b19-12+