S-methyl N-[2-chloranyl-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]carbamothioate

Systemtic Name: S-methyl N-[2-chloranyl-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]carbamothioate Openeye Name: S-methyl N-[2-chloro-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-oxo-propyl]carbamothioate CAS Name: N-[2-chloro-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-oxopropyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[2-chloro-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-oxopropyl]carbamothioate Traditional Name: N-[2-chloro-3-keto-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propyl]thiocarbamic acid S-methyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C(C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)SC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C(C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)SC)Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-26-14-9-5-12(6-10-14)17(22)15(19)16(20-18(23)27-2)11-3-7-13(8-4-11)21(24)25/h3-10,15-16H,1-2H3,(H,20,23)