2-[[4-(aminocarbonylamino)phenyl]sulfanylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(aminocarbonylamino)phenyl]sulfanylmethyl]-3-methyl-butanoic acid Openeye Name: 3-methyl-2-[(4-ureidophenyl)sulfanylmethyl]butanoic acid CAS Name: 2-[[[4-(carbamoylamino)phenyl]thio]methyl]-3-methylbutanoic acid IUPAC Name: 2-[[4-(carbamoylamino)phenyl]sulfanylmethyl]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[[(4-ureidophenyl)thio]methyl]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSC1=CC=C(C=C1)NC(=O)N)C(=O)O

Isomeric SMILES

CC(C)C(CSC1=CC=C(C=C1)NC(=O)N)C(=O)O

InChI

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