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

Systemtic Name: methyl 3-chloranyl-6-(cyclododecylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(cyclododecylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(cyclododecylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(cyclododecylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C23H31ClN2O2S2 MolecularWeight: 467.08744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCCCCCCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCCCCCCCCC3)Cl

InChI

InChI=1S/C23H31ClN2O2S2/c1-28-22(27)21-20(24)18-14-13-17(15-19(18)30-21)26-23(29)25-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-16H,2-12H2,1H3,(H2,25,26,29)