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

Systemtic Name: S-methyl N-[2-chloranyl-3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]carbamothioate Openeye Name: S-methyl N-[2-chloro-1-(4-nitrophenyl)-3-oxo-3-(p-tolyl)propyl]carbamothioate CAS Name: N-[2-chloro-3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxopropyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[2-chloro-3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxopropyl]carbamothioate Traditional Name: N-[2-chloro-3-keto-1-(4-nitrophenyl)-3-(p-tolyl)propyl]thiocarbamic acid S-methyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C(C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C(C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)SC)Cl

InChI

InChI=1S/C18H17ClN2O4S/c1-11-3-5-13(6-4-11)17(22)15(19)16(20-18(23)26-2)12-7-9-14(10-8-12)21(24)25/h3-10,15-16H,1-2H3,(H,20,23)