3-bromanyl-4-ethoxy-5-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)OC

InChI

InChI=1S/C21H22BrN3O4S/c1-3-29-19-15(22)10-13(11-17(19)27-2)20(26)23-14-4-5-16-18(12-14)30-21(24-16)25-6-8-28-9-7-25/h4-5,10-12H,3,6-9H2,1-2H3,(H,23,26)