4-[[(E)-(4-chlorophenyl)methylideneamino]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[(E)-(4-chlorophenyl)methylideneamino]carbamothioylamino]butanoic acid Openeye Name: 4-[[(E)-(4-chlorophenyl)methyleneamino]carbamothioylamino]butanoic acid CAS Name: 4-[[[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[[(E)-(4-chlorophenyl)methylideneamino]carbamothioylamino]butanoic acid Traditional Name: 4-[[(E)-(4-chlorobenzylidene)amino]thiocarbamoylamino]butyric acid Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)NCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=S)NCCCC(=O)O)Cl

InChI

InChI=1S/C12H14ClN3O2S/c13-10-5-3-9(4-6-10)8-15-16-12(19)14-7-1-2-11(17)18/h3-6,8H,1-2,7H2,(H,17,18)(H2,14,16,19)/b15-8+