N-(2-chloroethyl)-2,5-dimethyl-4-(trioxidanylsulfanyl)benzenecarbothioamide

Systemtic Name: N-(2-chloroethyl)-2,5-dimethyl-4-(trioxidanylsulfanyl)benzenecarbothioamide Openeye Name: N-(2-chloroethyl)-2,5-dimethyl-4-(trioxidanylsulfanyl)benzenecarbothioamide CAS Name: 4-[(2-chloroethylamino)-sulfanylidenemethyl]-2,5-dimethylbenzenesulfenic acid hydroperoxy ester IUPAC Name: N-(2-chloroethyl)-2,5-dimethyl-4-(trioxidanylsulfanyl)benzenecarbothioamide Traditional Name: N-(2-chloroethyl)-2,5-dimethyl-4-(trioxidanylthio)thiobenzamide Formula: C11H14ClNO3S2 MolecularWeight: 307.81676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=S)NCCCl)C)SOOO

Isomeric SMILES

CC1=CC(=C(C=C1C(=S)NCCCl)C)SOOO

InChI

InChI=1S/C11H14ClNO3S2/c1-7-6-10(18-16-15-14)8(2)5-9(7)11(17)13-4-3-12/h5-6,14H,3-4H2,1-2H3,(H,13,17)