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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S/c1-14-3-6-17(7-4-14)23-10-9-22(12-15(23)2)20(26)21-16-5-8-18-19(11-16)25-13-24-18/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,21,26)