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

Systemtic Name: 3-chloranyl-N-(heptylcarbamothioyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(heptylcarbamothioyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(heptylamino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(heptylcarbamothioyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(heptylthiocarbamoyl)benzothiophene-2-carboxamide Formula: C17H21ClN2OS2 MolecularWeight: 368.94444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H21ClN2OS2/c1-2-3-4-5-8-11-19-17(22)20-16(21)15-14(18)12-9-6-7-10-13(12)23-15/h6-7,9-10H,2-5,8,11H2,1H3,(H2,19,20,21,22)