2-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(3,4-dichloroanilino)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(3,4-dichlorophenyl)carbamoylamino]-3-mercapto-3-methyl-butyric acid Formula: C12H14Cl2N2O3S MolecularWeight: 337.22216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)S

InChI

InChI=1S/C12H14Cl2N2O3S/c1-12(2,20)9(10(17)18)16-11(19)15-6-3-4-7(13)8(14)5-6/h3-5,9,20H,1-2H3,(H,17,18)(H2,15,16,19)