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

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC4=CC(=C(C=C4Br)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC4=CC(=C(C=C4Br)OC)OC

InChI

InChI=1S/C25H23BrN2O3S/c1-15-4-10-20-23(12-15)32-25(28-20)16-5-8-18(9-6-16)27-24(29)11-7-17-13-21(30-2)22(31-3)14-19(17)26/h4-6,8-10,12-14H,7,11H2,1-3H3,(H,27,29)