3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC)C

InChI

InChI=1S/C20H21BrN2O3S/c1-11-7-12(2)19-17(8-11)27-20(23-19)22-18(24)6-5-13-9-15(25-3)16(26-4)10-14(13)21/h7-10H,5-6H2,1-4H3,(H,22,23,24)