methyl 6-[[(2,4-dimethylphenyl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2,4-dimethylphenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2,4-dimethylbenzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2,4-dimethylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2,4-dimethylbenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2,4-dimethylbenzoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-12-8-9-14(13(2)11-12)16(22)19-20-17(24)18-10-6-4-5-7-15(21)23-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,22)(H2,18,20,24)