methyl 4-[(2-ethylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-ethylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-ethylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-ethylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-ethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-ethylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H20N2O2S/c1-3-11-7-4-5-8-12(11)16-14(19)15-10-6-9-13(17)18-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,16,19)