N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

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