N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-piperonylamide Formula: C26H23FN4O4S MolecularWeight: 506.548623

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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=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C26H23FN4O4S/c27-21-4-2-1-3-20(21)25(33)31-13-11-30(12-14-31)19-8-6-18(7-9-19)28-26(36)29-24(32)17-5-10-22-23(15-17)35-16-34-22/h1-10,15H,11-14,16H2,(H2,28,29,32,36)