3-(1,3-benzothiazol-2-yl)-N-(2-tert-butyl-6-methyl-phenyl)-2-oxidanylidene-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(2-tert-butyl-6-methyl-phenyl)-2-oxidanylidene-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(2-tert-butyl-6-methyl-phenyl)-2-oxo-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(2-tert-butyl-6-methylphenyl)-2-oxopropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2-tert-butyl-6-methylphenyl)-2-oxopropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(2-tert-butyl-6-methyl-phenyl)-2-keto-propionamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O2S/c1-13-8-7-9-14(21(2,3)4)19(13)23-20(25)16(24)12-18-22-15-10-5-6-11-17(15)26-18/h5-11H,12H2,1-4H3,(H,23,25)