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

Systemtic Name: 2-[(2-cyanocyclopropyl)carbonylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(2-cyanocyclopropanecarbonyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(2-cyanocyclopropyl)-oxomethyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(2-cyanocyclopropanecarbonyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(2-cyanocyclopropanecarbonyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-11-4-3-5-12(2)18(11)24-19(26)13-6-7-16-17(9-13)28-21(23-16)25-20(27)15-8-14(15)10-22/h3-7,9,14-15H,8H2,1-2H3,(H,24,26)(H,23,25,27)