3-chloranyl-N-[2-oxidanylidene-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-[2-(pentylcarbamothioyl)hydrazino]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[[(pentylamino)-sulfanylidenemethyl]hydrazo]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[N'-(amylthiocarbamoyl)hydrazino]-2-keto-ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C17H21ClN4O2S2 MolecularWeight: 412.95724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H21ClN4O2S2/c1-2-3-6-9-19-17(25)22-21-13(23)10-20-16(24)15-14(18)11-7-4-5-8-12(11)26-15/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,20,24)(H,21,23)(H2,19,22,25)