4-methoxy-3-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methoxy-3-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methoxy-3-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 4-methoxy-3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 4-methoxy-3-(valerylthiocarbamoylamino)benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-3-4-5-12(17)16-14(21)15-10-8-9(13(18)19)6-7-11(10)20-2/h6-8H,3-5H2,1-2H3,(H,18,19)(H2,15,16,17,21)