N-(2-chloranyl-6-methyl-phenyl)-2-(pyrimidin-2-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(pyrimidin-2-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(pyrimidin-2-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-(2-pyrimidinylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(pyrimidin-2-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(2-pyrimidylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C20H15ClN6O2S MolecularWeight: 438.8901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H15ClN6O2S/c1-11-4-2-5-13(21)16(11)25-17(28)12-6-7-14-15(10-12)30-20(24-14)27-19(29)26-18-22-8-3-9-23-18/h2-10H,1H3,(H,25,28)(H2,22,23,24,26,27,29)