4-[methyl-[(3-methylsulfanylphenyl)carbamoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[(3-methylsulfanylphenyl)carbamoyl]amino]butanoic acid Openeye Name: 4-[methyl-[(3-methylsulfanylphenyl)carbamoyl]amino]butanoic acid CAS Name: 4-[methyl-[[3-(methylthio)anilino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[(3-methylsulfanylphenyl)carbamoyl]amino]butanoic acid Traditional Name: 4-[methyl-[[3-(methylthio)phenyl]carbamoyl]amino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=CC(=CC=C1)SC

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C13H18N2O3S/c1-15(8-4-7-12(16)17)13(18)14-10-5-3-6-11(9-10)19-2/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18)(H,16,17)