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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(pyridin-4-ylmethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(4-pyridylmethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(pyridin-4-ylmethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(4-pyridylmethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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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)NCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C22H18ClN5O2S/c1-13-3-2-4-16(23)19(13)27-20(29)15-5-6-17-18(11-15)31-22(26-17)28-21(30)25-12-14-7-9-24-10-8-14/h2-11H,12H2,1H3,(H,27,29)(H2,25,26,28,30)