2-methyl-3-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-methyl-3-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 2-methyl-3-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 2-methyl-3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 2-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=CC=CC(=C1C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1C)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-3-4-8-12(17)16-14(20)15-11-7-5-6-10(9(11)2)13(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)(H2,15,16,17,20)