3-(cyclopentylcarbamothioylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(cyclopentylcarbamothioylamino)-4-methyl-benzoic acid Openeye Name: 3-(cyclopentylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 3-[[(cyclopentylamino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(cyclopentylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 3-(cyclopentylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2CCCC2

InChI

InChI=1S/C14H18N2O2S/c1-9-6-7-10(13(17)18)8-12(9)16-14(19)15-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,17,18)(H2,15,16,19)