4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 4-methyl-3-(valerylthiocarbamoylamino)benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-3-4-5-12(17)16-14(20)15-11-8-10(13(18)19)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,18,19)(H2,15,16,17,20)