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

Systemtic Name: 2-(pyridin-3-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(3-pyridylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(3-pyridinylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(pyridin-3-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(3-pyridylamino)-1,3-benzothiazole-6-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=CN=CC=C4)C

InChI

InChI=1S/C22H20N4OS/c1-13-9-14(2)20(15(3)10-13)26-21(27)16-6-7-18-19(11-16)28-22(25-18)24-17-5-4-8-23-12-17/h4-12H,1-3H3,(H,24,25)(H,26,27)