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

Systemtic Name: pentyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbothioylamino)phenyl]sulfanylpropanoate Openeye Name: pentyl 2-[2-chloro-5-(hexahydropyridazine-1-carbothioylamino)phenyl]sulfanylpropanoate CAS Name: 2-[[2-chloro-5-[[1-diazinanyl(sulfanylidene)methyl]amino]phenyl]thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-[2-chloro-5-(diazinane-1-carbothioylamino)phenyl]sulfanylpropanoate Traditional Name: 2-[[2-chloro-5-(hexahydropyridazine-1-carbothioylamino)phenyl]thio]propionic acid amyl ester Formula: C19H28ClN3O2S2 MolecularWeight: 430.02752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)SC1=C(C=CC(=C1)NC(=S)N2CCCCN2)Cl

Isomeric SMILES

CCCCCOC(=O)C(C)SC1=C(C=CC(=C1)NC(=S)N2CCCCN2)Cl

InChI

InChI=1S/C19H28ClN3O2S2/c1-3-4-7-12-25-18(24)14(2)27-17-13-15(8-9-16(17)20)22-19(26)23-11-6-5-10-21-23/h8-9,13-14,21H,3-7,10-12H2,1-2H3,(H,22,26)