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

Systemtic Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4-morpholinophenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4-morpholinophenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O4S/c24-19(14-1-6-17-18(13-14)27-12-11-26-17)22-20(28)21-15-2-4-16(5-3-15)23-7-9-25-10-8-23/h1-6,13H,7-12H2,(H2,21,22,24,28)