N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-chloranyl-3,5-dimethyl-phenoxy)propanamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-chloranyl-3,5-dimethyl-phenoxy)propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethyl-phenoxy)propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethyl-phenoxy)propionamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H25ClN2O2S/c1-5-6-7-16-8-9-18-19(12-16)28-22(24-18)25-21(26)15(4)27-17-10-13(2)20(23)14(3)11-17/h8-12,15H,5-7H2,1-4H3,(H,24,25,26)