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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-methylbenzyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c1-16-2-4-17(5-3-16)13-22-21(27)24-10-8-23(9-11-24)14-18-6-7-19-20(12-18)26-15-25-19/h2-7,12H,8-11,13-15H2,1H3,(H,22,27)