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

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C23H24ClN3O3S2/c1-2-3-4-9-14-30-17-12-7-5-10-15(17)21(28)25-23(31)27-26-22(29)20-19(24)16-11-6-8-13-18(16)32-20/h5-8,10-13H,2-4,9,14H2,1H3,(H,26,29)(H2,25,27,28,31)