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

Systemtic Name: N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-piperonylamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4S/c31-24(19-6-11-22-23(16-19)34-17-33-22)28-26(35)27-20-7-9-21(10-8-20)29-12-14-30(15-13-29)25(32)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H2,27,28,31,35)