methyl 6-[[(2,5-dimethylphenyl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2,5-dimethylphenyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,5-dimethylanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(2,5-dimethylphenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,5-dimethylanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(2,5-dimethylanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-12-8-9-13(2)14(11-12)18-19-16(22)17-10-6-4-5-7-15(20)21-3/h8-9,11,18H,4-7,10H2,1-3H3,(H2,17,19,22)