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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC(C)C1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C

InChI

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