N-[2-(4-tert-butylphenyl)ethyl]-2-(hydroxymethyl)-1,3-benzothiazole-5-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenyl)ethyl]-2-(hydroxymethyl)-1,3-benzothiazole-5-carboxamide Openeye Name: N-[2-(4-tert-butylphenyl)ethyl]-2-(hydroxymethyl)-1,3-benzothiazole-5-carboxamide CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-2-(hydroxymethyl)-1,3-benzothiazole-5-carboxamide IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]-2-(hydroxymethyl)-1,3-benzothiazole-5-carboxamide Traditional Name: N-[2-(4-tert-butylphenyl)ethyl]-2-methylol-1,3-benzothiazole-5-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC(=N3)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC(=N3)CO

InChI

InChI=1S/C21H24N2O2S/c1-21(2,3)16-7-4-14(5-8-16)10-11-22-20(25)15-6-9-18-17(12-15)23-19(13-24)26-18/h4-9,12,24H,10-11,13H2,1-3H3,(H,22,25)