N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C25H22N6O2S2 MolecularWeight: 502.61118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O2S2/c32-23(18-6-11-21-22(16-18)29-35-28-21)27-25(34)26-19-7-9-20(10-8-19)30-12-14-31(15-13-30)24(33)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H2,26,27,32,34)