N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-morpholino-5-nitro-benzamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-2-morpholino-5-nitro-benzamide Formula: C20H20N4O6S MolecularWeight: 444.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N4O6S/c25-19(22-20(31)21-13-1-4-17-18(11-13)30-10-9-29-17)15-12-14(24(26)27)2-3-16(15)23-5-7-28-8-6-23/h1-4,11-12H,5-10H2,(H2,21,22,25,31)