methyl (4Z)-4-(carbamothioylhydrazinylidene)-4-phenyl-butanoate

Systemtic Name: methyl (4Z)-4-(carbamothioylhydrazinylidene)-4-phenyl-butanoate Openeye Name: methyl (4Z)-4-(carbamothioylhydrazono)-4-phenyl-butanoate CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (4Z)-4-(carbamothioylhydrazinylidene)-4-phenylbutanoate Traditional Name: (4Z)-4-phenyl-4-(thiocarbamoylhydrazono)butyric acid methyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=NNC(=S)N)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-17-11(16)8-7-10(14-15-12(13)18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,13,15,18)/b14-10-