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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-cyanophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c22-12-16-1-3-17(4-2-16)14-24-7-9-25(10-8-24)21(28)23-13-18-5-6-19-20(11-18)27-15-26-19/h1-6,11H,7-10,13-15H2,(H,23,28)