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

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3-chloro-2-morpholino-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20ClN3O4S/c21-14-2-1-3-15(18(14)24-6-8-26-9-7-24)22-20(29)23-19(25)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2,(H2,22,23,25,29)