4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-N-(3,4-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H25N3O3S/c1-15-7-8-17(13-16(15)2)23-22(29)25-11-9-24(10-12-25)21(26)20-14-27-18-5-3-4-6-19(18)28-20/h3-8,13,20H,9-12,14H2,1-2H3,(H,23,29)/t20-/m1/s1