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

Systemtic Name: 2-(2-acetamidoethanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(2-acetamidoacetyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-acetamido-1-oxoethyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(2-acetamidoacetyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(2-acetamidoacetyl)amino]-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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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)CNC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-11-7-12(2)19(13(3)8-11)25-20(28)15-5-6-16-17(9-15)29-21(23-16)24-18(27)10-22-14(4)26/h5-9H,10H2,1-4H3,(H,22,26)(H,25,28)(H,23,24,27)