2-[(1-propan-2-ylbenzimidazol-2-yl)carbamothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[(1-propan-2-ylbenzimidazol-2-yl)carbamothioylsulfanyl]ethanoic acid Openeye Name: 2-[(1-isopropylbenzimidazol-2-yl)carbamothioylsulfanyl]acetic acid CAS Name: 2-[[[(1-propan-2-yl-2-benzimidazolyl)amino]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[(1-propan-2-ylbenzimidazol-2-yl)carbamothioylsulfanyl]acetic acid Traditional Name: 2-[(1-isopropylbenzimidazol-2-yl)thiocarbamoylthio]acetic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C1NC(=S)SCC(=O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1NC(=S)SCC(=O)O

InChI

InChI=1S/C13H15N3O2S2/c1-8(2)16-10-6-4-3-5-9(10)14-12(16)15-13(19)20-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H,14,15,19)