5-(1,3-benzothiazol-2-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(5-bromo-2-methoxy-benzyl)-N-methyl-valeramide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23BrN2O2S/c1-24(14-15-13-16(22)11-12-18(15)26-2)21(25)10-6-5-9-20-23-17-7-3-4-8-19(17)27-20/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3