N-(3,4-dichlorophenyl)propanamide; 2-octyl-1,2-thiazol-3-one

Systemtic Name: N-(3,4-dichlorophenyl)propanamide; 2-octyl-1,2-thiazol-3-one Openeye Name: N-(3,4-dichlorophenyl)propanamide; 2-octylisothiazol-3-one CAS Name: N-(3,4-dichlorophenyl)propanamide; 2-octyl-3-isothiazolone IUPAC Name: N-(3,4-dichlorophenyl)propanamide; 2-octyl-1,2-thiazol-3-one Traditional Name: N-(3,4-dichlorophenyl)propionamide; 2-octyl-4-isothiazolin-3-one Formula: C20H28Cl2N2O2S MolecularWeight: 431.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C=CS1.CCC(=O)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCCCN1C(=O)C=CS1.CCC(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H19NOS.C9H9Cl2NO/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;1-2-9(13)12-6-3-4-7(10)8(11)5-6/h8,10H,2-7,9H2,1H3;3-5H,2H2,1H3,(H,12,13)