4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S/c1-29-19-9-5-2-6-15(19)22-21(26)24-12-10-23(11-13-24)20(25)18-14-27-16-7-3-4-8-17(16)28-18/h2-9,18H,10-14H2,1H3,(H,22,26)