methyl 3-chloranyl-6-(dibutylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(dibutylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(dibutylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(dibutylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(dibutylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(dibutylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCCCN(CCCC)C(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C19H25ClN2O2S2/c1-4-6-10-22(11-7-5-2)19(25)21-13-8-9-14-15(12-13)26-17(16(14)20)18(23)24-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,25)