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

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22ClN3O3S/c22-15-5-4-6-16(19(15)25-9-2-1-3-10-25)23-21(29)24-20(26)14-7-8-17-18(13-14)28-12-11-27-17/h4-8,13H,1-3,9-12H2,(H2,23,24,26,29)