N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-pentanamide

Systemtic Name: N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-pentanamide Openeye Name: N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-pentanamide CAS Name: N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanamide IUPAC Name: N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanamide Traditional Name: N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-valeramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC(C)(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H25N3O2S/c1-4-22(3,14-21-25-18-7-5-6-8-19(18)28-21)13-20(27)24-17-11-9-16(10-12-17)23-15(2)26/h5-12H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)