N-(1,3-benzodioxol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4)C

InChI

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