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

Systemtic Name: 2-(2-acetamidopropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2-acetamidopropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-acetamido-1-oxopropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2-acetamidopropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2-acetamidopropanoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)NC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-11-8-12(2)19(13(3)9-11)25-21(29)16-6-7-17-18(10-16)30-22(24-17)26-20(28)14(4)23-15(5)27/h6-10,14H,1-5H3,(H,23,27)(H,25,29)(H,24,26,28)