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

Systemtic Name: methyl 3-chloranyl-6-(nonylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(nonylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(nonylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(nonylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(nonylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H27ClN2O2S2 MolecularWeight: 427.02358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O2S2/c1-3-4-5-6-7-8-9-12-22-20(26)23-14-10-11-15-16(13-14)27-18(17(15)21)19(24)25-2/h10-11,13H,3-9,12H2,1-2H3,(H2,22,23,26)