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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O2S2/c1-3-4-5-6-7-8-9-10-13-23-21(27)24-15-11-12-16-17(14-15)28-19(18(16)22)20(25)26-2/h11-12,14H,3-10,13H2,1-2H3,(H2,23,24,27)