N-[6-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C22H18BrN3O4S MolecularWeight: 500.36502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C22H18BrN3O4S/c1-12-8-13(2)20(15(23)9-12)30-11-19(27)24-14-5-6-16-18(10-14)31-22(25-16)26-21(28)17-4-3-7-29-17/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26,28)