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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O2S2/c1-4-6-8-10-14-26(15-11-9-7-5-2)23(29)25-17-12-13-18-19(16-17)30-21(20(18)24)22(27)28-3/h12-13,16H,4-11,14-15H2,1-3H3,(H,25,29)