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

Systemtic Name: 3-(hexanoylcarbamothioylamino)-4-methoxy-benzoic acid Openeye Name: 3-(hexanoylcarbamothioylamino)-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(hexanoylcarbamothioylamino)-4-methoxybenzoic acid Traditional Name: 3-(caproylthiocarbamoylamino)-4-methoxy-benzoic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-3-4-5-6-13(18)17-15(22)16-11-9-10(14(19)20)7-8-12(11)21-2/h7-9H,3-6H2,1-2H3,(H,19,20)(H2,16,17,18,22)