3-chloranyl-N-(heptylcarbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(heptylcarbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(heptylcarbamothioyl)-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(heptylamino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(heptylcarbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(heptylthiocarbamoyl)-6-methoxy-benzothiophene-2-carboxamide Formula: C18H23ClN2O2S2 MolecularWeight: 398.97042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl

InChI

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