methyl 4-[[(3-hydroxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-hydroxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-hydroxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-hydroxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(3-hydroxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC(=CC=C1)O

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC(=CC=C1)O

InChI

InChI=1S/C13H17N3O4S/c1-20-11(18)6-3-7-14-13(21)16-15-12(19)9-4-2-5-10(17)8-9/h2,4-5,8,17H,3,6-7H2,1H3,(H,15,19)(H2,14,16,21)