N-(2,6-dimethylphenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-(1-oxohexylamino)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(caproylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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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=C3C)C

Isomeric SMILES

CCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H25N3O2S/c1-4-5-6-10-19(26)24-22-23-17-12-11-16(13-18(17)28-22)21(27)25-20-14(2)8-7-9-15(20)3/h7-9,11-13H,4-6,10H2,1-3H3,(H,25,27)(H,23,24,26)