methyl 6-[(3-methylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-methylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-(m-tolylcarbamothioylamino)hexanoate CAS Name: 6-[[(3-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-(m-tolylthiocarbamoylamino)hexanoic acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H22N2O2S/c1-12-7-6-8-13(11-12)17-15(20)16-10-5-3-4-9-14(18)19-2/h6-8,11H,3-5,9-10H2,1-2H3,(H2,16,17,20)