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

Systemtic Name: methyl 6-[[(3-methylphenyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-methylanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(3-methylphenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-methylanilino)carbamothioylamino]hexanoate Traditional Name: 6-(m-toluidinothiocarbamoylamino)hexanoic acid methyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S/c1-12-7-6-8-13(11-12)17-18-15(21)16-10-5-3-4-9-14(19)20-2/h6-8,11,17H,3-5,9-10H2,1-2H3,(H2,16,18,21)