4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-[(2-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-o-anisyl-piperazine-1-carbothioamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O4S/c1-27-17-7-3-2-6-16(17)14-23-22(30)25-12-10-24(11-13-25)21(26)20-15-28-18-8-4-5-9-19(18)29-20/h2-9,20H,10-15H2,1H3,(H,23,30)