4-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(E)-(carbamothioylhydrazono)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(E)-(carbamothioylhydrazinylidene)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(E)-(carbamothioylhydrazinylidene)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(E)-(thiocarbamoylhydrazono)methyl]anilino]butyric acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)N)NC(=O)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3S/c13-12(20)16-14-7-8-1-3-9(4-2-8)15-10(17)5-6-11(18)19/h1-4,7H,5-6H2,(H,15,17)(H,18,19)(H3,13,16,20)/b14-7+