2-[(3-chloranyl-4-methoxy-phenyl)methylsulfonyl-(4-oxidanylbutyl)amino]ethanethioamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylsulfonyl-(4-oxidanylbutyl)amino]ethanethioamide Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylsulfonyl-(4-hydroxybutyl)amino]thioacetamide CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylsulfonyl-(4-hydroxybutyl)amino]ethanethioamide IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylsulfonyl-(4-hydroxybutyl)amino]ethanethioamide Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)sulfonyl-(4-hydroxybutyl)amino]thioacetamide Formula: C14H21ClN2O4S2 MolecularWeight: 380.91054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)N(CCCCO)CC(=S)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)N(CCCCO)CC(=S)N)Cl

InChI

InChI=1S/C14H21ClN2O4S2/c1-21-13-5-4-11(8-12(13)15)10-23(19,20)17(9-14(16)22)6-2-3-7-18/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H2,16,22)