methyl 4-[[(3,5-dimethylphenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3,5-dimethylphenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3,5-dimethylanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(3,5-dimethylphenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethylanilino)carbamothioylamino]butanoate Traditional Name: 4-[(3,5-dimethylanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-10-7-11(2)9-12(8-10)16-17-14(20)15-6-4-5-13(18)19-3/h7-9,16H,4-6H2,1-3H3,(H2,15,17,20)