4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-benzoyl-4-chloro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-benzoyl-4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-benzoyl-4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClN3O3S/c27-20-7-8-22(21(15-20)25(31)19-4-2-1-3-5-19)28-26(34)30-12-10-29(11-13-30)16-18-6-9-23-24(14-18)33-17-32-23/h1-9,14-15H,10-13,16-17H2,(H,28,34)