2-acetamido-4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid

Systemtic Name: 2-acetamido-4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 2-acetamido-4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid CAS Name: 2-acetamido-4-[[(4-bromoanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 2-acetamido-4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 2-acetamido-4-[(4-bromophenyl)thiocarbamoylthio]butyric acid Formula: C13H15BrN2O3S2 MolecularWeight: 391.3038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC(=S)NC1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(=O)NC(CCSC(=S)NC1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H15BrN2O3S2/c1-8(17)15-11(12(18)19)6-7-21-13(20)16-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)