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

Systemtic Name: methyl 3-chloranyl-6-(dodecylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(dodecylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(dodecylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(dodecylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(laurylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C23H33ClN2O2S2 MolecularWeight: 469.10332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O2S2/c1-3-4-5-6-7-8-9-10-11-12-15-25-23(29)26-17-13-14-18-19(16-17)30-21(20(18)24)22(27)28-2/h13-14,16H,3-12,15H2,1-2H3,(H2,25,26,29)