4-(1-bromoethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(1-bromoethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(1-bromoethyl)-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-bromoethyl)-N-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(1-bromoethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(1-bromoethyl)-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC)Br

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-13(22)14-3-5-15(6-4-14)20(26)24-21-23-18-17(27-2)8-7-16(19(18)29-21)25-9-11-28-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,23,24,26)