3-(hexanoylcarbamothioylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(hexanoylcarbamothioylamino)-4-methyl-benzoic acid Openeye Name: 3-(hexanoylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(hexanoylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 3-(caproylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-3-4-5-6-13(18)17-15(21)16-12-9-11(14(19)20)8-7-10(12)2/h7-9H,3-6H2,1-2H3,(H,19,20)(H2,16,17,18,21)