N-(2-chloranyl-6-methyl-phenyl)-2-(quinolin-2-ylcarbonylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(quinolin-2-ylcarbonylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(quinoline-2-carbonylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo(2-quinolinyl)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(quinoline-2-carbonylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(quinaldoylamino)-1,3-benzothiazole-6-carboxamide Formula: C25H17ClN4O2S MolecularWeight: 472.94608

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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)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H17ClN4O2S/c1-14-5-4-7-17(26)22(14)29-23(31)16-10-11-19-21(13-16)33-25(28-19)30-24(32)20-12-9-15-6-2-3-8-18(15)27-20/h2-13H,1H3,(H,29,31)(H,28,30,32)