methyl 4-[[(2,5-dimethylphenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2,5-dimethylphenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(2,5-dimethylanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(2,5-dimethylphenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,5-dimethylanilino)carbamothioylamino]butanoate Traditional Name: 4-[(2,5-dimethylanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-10-6-7-11(2)12(9-10)16-17-14(20)15-8-4-5-13(18)19-3/h6-7,9,16H,4-5,8H2,1-3H3,(H2,15,17,20)