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

Systemtic Name: methyl 3-chloranyl-6-(dipentylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(dipentylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(dipentylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(dipentylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(diamylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C21H29ClN2O2S2 MolecularWeight: 441.05016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C21H29ClN2O2S2/c1-4-6-8-12-24(13-9-7-5-2)21(27)23-15-10-11-16-17(14-15)28-19(18(16)22)20(25)26-3/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,27)