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

Systemtic Name: 2-(2-cyclopropylethanoylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(2-cyclopropylacetyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-cyclopropyl-1-oxoethyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(2-cyclopropylacetyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(2-cyclopropylacetyl)amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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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)CC4CC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4CC4

InChI

InChI=1S/C21H21N3O2S/c1-12-4-3-5-13(2)19(12)24-20(26)15-8-9-16-17(11-15)27-21(22-16)23-18(25)10-14-6-7-14/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,24,26)(H,22,23,25)