4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]piperazine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-18-4-1-16(2-5-18)7-8-23-21(28)25-11-9-24(10-12-25)14-17-3-6-19-20(13-17)27-15-26-19/h1-6,13H,7-12,14-15H2,(H,23,28)