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

Systemtic Name: methyl 3-chloranyl-6-(cyclohexylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(cyclohexylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(cyclohexylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(cyclohexylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H19ClN2O2S2 MolecularWeight: 382.92796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCCC3)Cl

InChI

InChI=1S/C17H19ClN2O2S2/c1-22-16(21)15-14(18)12-8-7-11(9-13(12)24-15)20-17(23)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,19,20,23)