methyl 3-(methylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(methylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(methylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-[[methylamino(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(methylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-(methylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C12H12N2O2S2 MolecularWeight: 280.36588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=C(SC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CNC(=S)NC1=C(SC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C12H12N2O2S2/c1-13-12(17)14-9-7-5-3-4-6-8(7)18-10(9)11(15)16-2/h3-6H,1-2H3,(H2,13,14,17)