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

Systemtic Name: methyl 4-[(4-methylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-(p-tolylcarbamothioylamino)butanoate CAS Name: 4-[[(4-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-(p-tolylthiocarbamoylamino)butyric acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-10-5-7-11(8-6-10)15-13(18)14-9-3-4-12(16)17-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,18)