N-[2-tert-butyl-4-(4-methyl-4-oxidanyl-pentyl)-1,2-thiazol-5-ylidene]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: N-[2-tert-butyl-4-(4-methyl-4-oxidanyl-pentyl)-1,2-thiazol-5-ylidene]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[2-tert-butyl-4-(4-hydroxy-4-methyl-pentyl)isothiazol-5-ylidene]-5-chloro-2-methoxy-benzamide CAS Name: N-[2-tert-butyl-4-(4-hydroxy-4-methylpentyl)-5-isothiazolylidene]-5-chloro-2-methoxybenzamide IUPAC Name: N-[2-tert-butyl-4-(4-hydroxy-4-methylpentyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide Traditional Name: N-[2-tert-butyl-4-(4-hydroxy-4-methyl-pentyl)-3-isothiazolin-5-ylidene]-5-chloro-2-methoxy-benzamide Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)Cl)OC)S1)CCCC(C)(C)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)Cl)OC)S1)CCCC(C)(C)O

InChI

InChI=1S/C21H29ClN2O3S/c1-20(2,3)24-13-14(8-7-11-21(4,5)26)19(28-24)23-18(25)16-12-15(22)9-10-17(16)27-6/h9-10,12-13,26H,7-8,11H2,1-6H3