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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-(1-oxohexylamino)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(caproylamino)-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3Cl)C

Isomeric SMILES

CCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3Cl)C

InChI

InChI=1S/C21H22ClN3O2S/c1-3-4-5-9-18(26)24-21-23-16-11-10-14(12-17(16)28-21)20(27)25-19-13(2)7-6-8-15(19)22/h6-8,10-12H,3-5,9H2,1-2H3,(H,25,27)(H,23,24,26)