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

Systemtic Name: 2-(4-thiophen-2-ylbutanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[4-(2-thienyl)butanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(1-oxo-4-thiophen-2-ylbutyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(4-thiophen-2-ylbutanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[4-(2-thienyl)butanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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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)CCCC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCCC4=CC=CS4)C

InChI

InChI=1S/C25H25N3O2S2/c1-15-12-16(2)23(17(3)13-15)28-24(30)18-9-10-20-21(14-18)32-25(26-20)27-22(29)8-4-6-19-7-5-11-31-19/h5,7,9-14H,4,6,8H2,1-3H3,(H,28,30)(H,26,27,29)