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

Systemtic Name: 4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid CAS Name: 4-[[(4-bromoanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(4-bromophenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 4-[(4-bromophenyl)thiocarbamoylthio]butyric acid Formula: C11H12BrNO2S2 MolecularWeight: 334.25248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)SCCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=S)SCCCC(=O)O)Br

InChI

InChI=1S/C11H12BrNO2S2/c12-8-3-5-9(6-4-8)13-11(16)17-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)