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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S/c1-15-2-4-16(5-3-15)13-22-8-10-23(11-9-22)20(26)21-17-6-7-18-19(12-17)25-14-24-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,26)