pentyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylpropanoate

Systemtic Name: pentyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylpropanoate Openeye Name: pentyl 2-[2-chloro-5-(hexahydropyridazine-1-carbonylsulfanylamino)phenyl]sulfanylpropanoate CAS Name: 2-[[2-chloro-5-[[[1-diazinanyl(oxo)methyl]thio]amino]phenyl]thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)phenyl]sulfanylpropanoate Traditional Name: 2-[[2-chloro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]propionic acid amyl ester Formula: C19H28ClN3O3S2 MolecularWeight: 446.02692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)SC1=C(C=CC(=C1)NSC(=O)N2CCCCN2)Cl

Isomeric SMILES

CCCCCOC(=O)C(C)SC1=C(C=CC(=C1)NSC(=O)N2CCCCN2)Cl

InChI

InChI=1S/C19H28ClN3O3S2/c1-3-4-7-12-26-18(24)14(2)27-17-13-15(8-9-16(17)20)22-28-19(25)23-11-6-5-10-21-23/h8-9,13-14,21-22H,3-7,10-12H2,1-2H3