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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22ClN3O2S/c21-17-4-1-15(2-5-17)13-23-7-9-24(10-8-23)20(27)22-12-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2,(H,22,27)