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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

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