N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-(3-bromo-4-methoxy-phenyl)propanamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-3-(3-bromo-4-methoxyphenyl)propanamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3-bromo-4-methoxyphenyl)propanamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-(3-bromo-4-methoxy-phenyl)propionamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-13(26)23-16-7-5-15(6-8-16)18-12-29-21(24-18)25-20(27)10-4-14-3-9-19(28-2)17(22)11-14/h3,5-9,11-12H,4,10H2,1-2H3,(H,23,26)(H,24,25,27)