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

Systemtic Name: methyl 3-chloranyl-6-(heptylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(heptylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(heptylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(heptylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(heptylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H23ClN2O2S2 MolecularWeight: 398.97042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O2S2/c1-3-4-5-6-7-10-20-18(24)21-12-8-9-13-14(11-12)25-16(15(13)19)17(22)23-2/h8-9,11H,3-7,10H2,1-2H3,(H2,20,21,24)