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

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(4-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(p-tolyl)piperazine-1-carbothioamide CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-N-(p-tolyl)piperazine-1-carbothioamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-15-6-8-16(9-7-15)22-21(28)24-12-10-23(11-13-24)20(25)19-14-26-17-4-2-3-5-18(17)27-19/h2-9,19H,10-14H2,1H3,(H,22,28)/t19-/m1/s1