3-(3-bromanyl-4-methoxy-phenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)propionamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-27-18-6-2-14(12-16(18)22)3-7-20(26)23-15-4-5-17-19(13-15)29-21(24-17)25-8-10-28-11-9-25/h2,4-6,12-13H,3,7-11H2,1H3,(H,23,26)