2-[(2-cyanocyclopropyl)carbonylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(2-cyanocyclopropyl)carbonylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(2-cyanocyclopropanecarbonyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(2-cyanocyclopropyl)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(2-cyanocyclopropanecarbonyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(2-cyanocyclopropanecarbonyl)amino]-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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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)C4CC4C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4C#N)C

InChI

InChI=1S/C22H20N4O2S/c1-11-6-12(2)19(13(3)7-11)25-20(27)14-4-5-17-18(9-14)29-22(24-17)26-21(28)16-8-15(16)10-23/h4-7,9,15-16H,8H2,1-3H3,(H,25,27)(H,24,26,28)