2-[(2,4-dimethylphenyl)amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(2,4-dimethylphenyl)amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(2,4-dimethylanilino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(2,4-dimethylanilino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(2,4-dimethylanilino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(2,4-dimethylanilino)-N-(6-mesyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C20H18N4O3S3 MolecularWeight: 458.57692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C20H18N4O3S3/c1-11-4-6-14(12(2)8-11)21-19-23-16(10-28-19)18(25)24-20-22-15-7-5-13(30(3,26)27)9-17(15)29-20/h4-10H,1-3H3,(H,21,23)(H,22,24,25)