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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H19BrN4O3S2 MolecularWeight: 507.42386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3S2/c1-27-16-5-2-12(10-14(16)21)18(26)23-19(29)24-20-22-15-4-3-13(11-17(15)30-20)25-6-8-28-9-7-25/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,26,29)