methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate

Systemtic Name: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate Openeye Name: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate CAS Name: 3-[[(4-bromoanilino)-sulfanylidenemethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate Traditional Name: 3-[(4-bromophenyl)thiocarbamoylthio]propionic acid methyl ester Formula: C11H12BrNO2S2 MolecularWeight: 334.25248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO2S2/c1-15-10(14)6-7-17-11(16)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,16)