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

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H18Br2N4O3S2 MolecularWeight: 586.31992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)Br)Br

InChI

InChI=1S/C20H18Br2N4O3S2/c1-28-17-13(8-11(21)9-14(17)22)18(27)24-19(30)25-20-23-15-3-2-12(10-16(15)31-20)26-4-6-29-7-5-26/h2-3,8-10H,4-7H2,1H3,(H2,23,24,25,27,30)