4-[[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(E)-C-methyl-N-thioureido-carbonimidoyl]anilino]butyric acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-8(16-17-13(14)21)9-2-4-10(5-3-9)15-11(18)6-7-12(19)20/h2-5H,6-7H2,1H3,(H,15,18)(H,19,20)(H3,14,17,21)/b16-8+