methyl 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]benzoate

Systemtic Name: methyl 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: methyl 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[(Z)-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(Z)-(piperonylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17N3O4S/c1-23-17(22)14-5-2-12(3-6-14)10-20-21-18(26)19-9-13-4-7-15-16(8-13)25-11-24-15/h2-8,10H,9,11H2,1H3,(H2,19,21,26)/b20-10-