2-(2-methylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2-methylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2-methylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2-methylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(isobutyrylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C(C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-11(2)19(25)24-21-22-16-7-6-15(10-17(16)27-21)20(26)23-18-13(4)8-12(3)9-14(18)5/h6-11H,1-5H3,(H,23,26)(H,22,24,25)