4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butyramide Formula: C28H29BrN2O2S MolecularWeight: 537.51106

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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)CCCOC4=C(C=C(C=C4)C(C)(C)C)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCOC4=C(C=C(C=C4)C(C)(C)C)Br

InChI

InChI=1S/C28H29BrN2O2S/c1-18-7-13-23-25(16-18)34-27(31-23)19-8-11-21(12-9-19)30-26(32)6-5-15-33-24-14-10-20(17-22(24)29)28(2,3)4/h7-14,16-17H,5-6,15H2,1-4H3,(H,30,32)