N-(2-chloranyl-6-methyl-phenyl)-2-[[4-(dimethylaminomethyl)pyridin-2-yl]amino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[4-(dimethylaminomethyl)pyridin-2-yl]amino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[[4-(dimethylaminomethyl)-2-pyridyl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylaminomethyl)-2-pyridinyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylaminomethyl)pyridin-2-yl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[[4-(dimethylaminomethyl)-2-pyridyl]amino]-1,3-benzothiazole-6-carboxamide Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5OS/c1-14-5-4-6-17(24)21(14)28-22(30)16-7-8-18-19(12-16)31-23(26-18)27-20-11-15(9-10-25-20)13-29(2)3/h4-12H,13H2,1-3H3,(H,28,30)(H,25,26,27)