2-[(2-oxidanylidene-3-phenoxy-propyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(2-oxidanylidene-3-phenoxy-propyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(2-oxo-3-phenoxy-propyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-oxo-3-phenoxypropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(2-oxo-3-phenoxypropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(2-keto-3-phenoxy-propyl)amino]-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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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)NCC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NCC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O3S/c1-16-11-17(2)24(18(3)12-16)29-25(31)19-9-10-22-23(13-19)33-26(28-22)27-14-20(30)15-32-21-7-5-4-6-8-21/h4-13H,14-15H2,1-3H3,(H,27,28)(H,29,31)