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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

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