N-(5-chloranyl-2-methoxy-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22ClN3O4S/c1-27-16-7-6-14(22)12-15(16)23-21(30)25-10-8-24(9-11-25)20(26)19-13-28-17-4-2-3-5-18(17)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,30)