N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(3-bromanylphenoxy)butanamide

Systemtic Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(3-bromanylphenoxy)butanamide Openeye Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(3-bromophenoxy)butanamide CAS Name: N-[4-[4-(acetamidomethyl)phenyl]-2-thiazolyl]-4-(3-bromophenoxy)butanamide IUPAC Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(3-bromophenoxy)butanamide Traditional Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(3-bromophenoxy)butyramide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-15(27)24-13-16-7-9-17(10-8-16)20-14-30-22(25-20)26-21(28)6-3-11-29-19-5-2-4-18(23)12-19/h2,4-5,7-10,12,14H,3,6,11,13H2,1H3,(H,24,27)(H,25,26,28)