methyl 4-[[methyl(phenyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[methyl(phenyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[methyl(phenyl)carbamothioyl]amino]butanoate CAS Name: 4-[[(N-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[methyl(phenyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[methyl(phenyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=S)NCCCC(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C13H18N2O2S/c1-15(11-7-4-3-5-8-11)13(18)14-10-6-9-12(16)17-2/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,18)