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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-14(24)15-2-5-17(6-3-15)22-8-10-23(11-9-22)20(27)21-16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3,(H,21,27)