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

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-2-isobutoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-12(2)11-28-15-9-5-3-7-13(15)19(26)23-21(29)25-24-20(27)18-17(22)14-8-4-6-10-16(14)30-18/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,23,25,26,29)