N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]caprylamide Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O2S2/c1-2-3-4-5-6-11-14(23)20-18(25)22-21-17(24)16-15(19)12-9-7-8-10-13(12)26-16/h7-10H,2-6,11H2,1H3,(H,21,24)(H2,20,22,23,25)