4-methyl-3-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: 4-methyl-3-(pentanoylcarbamothioylamino)benzoate Openeye Name: 4-methyl-3-(pentanoylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methyl-3-(pentanoylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-(valerylthiocarbamoylamino)benzoate Formula: C14H17N2O3S- MolecularWeight: 293.36138

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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)/p-1