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

Systemtic Name: N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-benzoylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-piperonylamide Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23ClN4O4S/c27-20-15-19(28-26(36)29-24(32)18-6-9-22-23(14-18)35-16-34-22)7-8-21(20)30-10-12-31(13-11-30)25(33)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,28,29,32,36)