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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]benzamide Formula: C21H19BrClN3O3S2 MolecularWeight: 540.88086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClN3O3S2/c1-2-3-10-29-15-9-8-12(11-14(15)22)19(27)24-21(30)26-25-20(28)18-17(23)13-6-4-5-7-16(13)31-18/h4-9,11H,2-3,10H2,1H3,(H,25,28)(H2,24,26,27,30)