2-[(4-bromophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromophenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(4-bromophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-bromophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-bromobenzyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H17BrN2O3S MolecularWeight: 361.25468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O3S/c1-20-7-6-11(12(17)18)16-13(19)15-8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,17,18)(H2,15,16,19)