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

Systemtic Name: 3-bromanyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C23H23BrClN3O3S2 MolecularWeight: 568.93402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrClN3O3S2/c1-2-3-4-7-12-31-17-11-10-14(13-16(17)24)21(29)26-23(32)28-27-22(30)20-19(25)15-8-5-6-9-18(15)33-20/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,27,30)(H2,26,28,29,32)