2-[(3,4-dichlorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,4-dichlorophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,4-dichlorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,4-dichlorobenzyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H16Cl2N2O3S MolecularWeight: 351.24874

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O3S/c1-21-5-4-11(12(18)19)17-13(20)16-7-8-2-3-9(14)10(15)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,18,19)(H2,16,17,20)