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4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

Systemtic Name:4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Openeye Name:4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]benzamide
CAS Name:4-[(4-bromo-1-pyrazolyl)methyl]-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]benzamide
IUPAC Name:4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Traditional Name:4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]benzamide
Formula: C21H18BrN5OS2
MolecularWeight: 500.43452
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N


Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N


InChI

InChI=1S/C21H18BrN5OS2/c22-15-10-24-27(12-15)11-13-5-7-14(8-6-13)19(28)25-21(29)26-20-17(9-23)16-3-1-2-4-18(16)30-20/h5-8,10,12H,1-4,11H2,(H2,25,26,28,29)


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