4-methoxy-3-(3-methylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methoxy-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methoxy-3-(3-methylbutanoylcarbamothioylamino)benzoic acid CAS Name: 4-methoxy-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(isovalerylthiocarbamoylamino)-4-methoxy-benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)OC

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C14H18N2O4S/c1-8(2)6-12(17)16-14(21)15-10-7-9(13(18)19)4-5-11(10)20-3/h4-5,7-8H,6H2,1-3H3,(H,18,19)(H2,15,16,17,21)