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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(6-ethylpyrimidin-4-yl)amino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[(6-ethylpyrimidin-4-yl)amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[(6-ethyl-4-pyrimidinyl)amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(6-ethylpyrimidin-4-yl)amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[(6-ethylpyrimidin-4-yl)amino]-1,3-benzothiazole-6-carboxamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC=N1)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=CC=C4Cl)C

Isomeric SMILES

CCC1=CC(=NC=N1)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=CC=C4Cl)C

InChI

InChI=1S/C21H18ClN5OS/c1-3-14-10-18(24-11-23-14)26-21-25-16-8-7-13(9-17(16)29-21)20(28)27-19-12(2)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H,27,28)(H,23,24,25,26)