butyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate

Systemtic Name: butyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate Openeye Name: butyl 2-[2-chloro-5-(hexahydropyridazine-1-carbonylsulfanylamino)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-5-[[[1-diazinanyl(oxo)methyl]thio]amino]phenyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid butyl ester Formula: C17H24ClN3O3S2 MolecularWeight: 417.97376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=CC(=C1)NSC(=O)N2CCCCN2)Cl

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=CC(=C1)NSC(=O)N2CCCCN2)Cl

InChI

InChI=1S/C17H24ClN3O3S2/c1-2-3-10-24-16(22)12-25-15-11-13(6-7-14(15)18)20-26-17(23)21-9-5-4-8-19-21/h6-7,11,19-20H,2-5,8-10,12H2,1H3