N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-chlorobenzyl)piperazine-1-carbothioamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20ClN3O2S/c20-15-3-1-14(2-4-15)12-22-7-9-23(10-8-22)19(26)21-16-5-6-17-18(11-16)25-13-24-17/h1-6,11H,7-10,12-13H2,(H,21,26)