N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(2-methylpiperidino)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O3S/c1-15-4-2-3-11-25(15)18-8-6-17(7-9-18)23-22(29)24-21(26)16-5-10-19-20(14-16)28-13-12-27-19/h5-10,14-15H,2-4,11-13H2,1H3,(H2,23,24,26,29)