methyl 6-[(2-methylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-methylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-(o-tolylcarbamothioylamino)hexanoate CAS Name: 6-[[(2-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-(o-tolylthiocarbamoylamino)hexanoic acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H22N2O2S/c1-12-8-5-6-9-13(12)17-15(20)16-11-7-3-4-10-14(18)19-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,16,17,20)