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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-2-3-11-28-14-8-6-7-13(12-14)19(26)23-21(29)25-24-20(27)18-17(22)15-9-4-5-10-16(15)30-18/h4-10,12H,2-3,11H2,1H3,(H,24,27)(H2,23,25,26,29)