4-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]butanoic acid Openeye Name: 4-[[(2-oxoindol-3-yl)amino]carbamothioylamino]butanoic acid CAS Name: 4-[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[[(2-oxoindol-3-yl)amino]carbamothioylamino]butanoic acid Traditional Name: 4-[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]butyric acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NCCCC(=O)O

InChI

InChI=1S/C13H14N4O3S/c18-10(19)6-3-7-14-13(21)17-16-11-8-4-1-2-5-9(8)15-12(11)20/h1-2,4-5H,3,6-7H2,(H,18,19)(H2,14,17,21)(H,15,16,20)