methyl 4-[[(3-methylphenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-methylphenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-methylanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(3-methylphenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-methylanilino)carbamothioylamino]butanoate Traditional Name: 4-(m-toluidinothiocarbamoylamino)butyric acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S/c1-10-5-3-6-11(9-10)15-16-13(19)14-8-4-7-12(17)18-2/h3,5-6,9,15H,4,7-8H2,1-2H3,(H2,14,16,19)