4-[1-benzothiophen-2-yl(methyl)carbamothioyl]sulfanylbutanoic acid

Systemtic Name: 4-[1-benzothiophen-2-yl(methyl)carbamothioyl]sulfanylbutanoic acid Openeye Name: 4-[benzothiophen-2-yl(methyl)carbamothioyl]sulfanylbutanoic acid CAS Name: 4-[[[1-benzothiophen-2-yl(methyl)amino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[1-benzothiophen-2-yl(methyl)carbamothioyl]sulfanylbutanoic acid Traditional Name: 4-[[benzothiophen-2-yl(methyl)thiocarbamoyl]thio]butyric acid Formula: C14H15NO2S3 MolecularWeight: 325.4694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=CC=CC=C2S1)C(=S)SCCCC(=O)O

Isomeric SMILES

CN(C1=CC2=CC=CC=C2S1)C(=S)SCCCC(=O)O

InChI

InChI=1S/C14H15NO2S3/c1-15(14(18)19-8-4-7-13(16)17)12-9-10-5-2-3-6-11(10)20-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17)