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

Systemtic Name: methyl 3-chloranyl-6-(octylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(octylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(octylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(octylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(octylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O2S2/c1-3-4-5-6-7-8-11-21-19(25)22-13-9-10-14-15(12-13)26-17(16(14)20)18(23)24-2/h9-10,12H,3-8,11H2,1-2H3,(H2,21,22,25)