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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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