N-(2-chloranyl-6-methyl-phenyl)-2-(pyridin-4-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(pyridin-4-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(4-pyridylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-(pyridin-4-ylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(pyridin-4-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(4-pyridylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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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)NC(=O)NC4=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O2S/c1-12-3-2-4-15(22)18(12)26-19(28)13-5-6-16-17(11-13)30-21(25-16)27-20(29)24-14-7-9-23-10-8-14/h2-11H,1H3,(H,26,28)(H2,23,24,25,27,29)