methyl 6-[(3,4-dimethylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3,4-dimethylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3,4-dimethylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3,4-dimethylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3,4-dimethylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-12-8-9-14(11-13(12)2)18-16(21)17-10-6-4-5-7-15(19)20-3/h8-9,11H,4-7,10H2,1-3H3,(H2,17,18,21)