N-(2,6-dimethylphenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(hydrocinnamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-16-7-6-8-17(2)23(16)28-24(30)19-12-13-20-21(15-19)31-25(26-20)27-22(29)14-11-18-9-4-3-5-10-18/h3-10,12-13,15H,11,14H2,1-2H3,(H,28,30)(H,26,27,29)