3,5-dimethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)OC

InChI

InChI=1S/C21H22N4O4S2/c1-27-15-9-13(10-16(12-15)28-2)19(26)23-20(30)24-21-22-17-4-3-14(11-18(17)31-21)25-5-7-29-8-6-25/h3-4,9-12H,5-8H2,1-2H3,(H2,22,23,24,26,30)