N-(2-chloranyl-4-nitro-phenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[methyl-[[4-(methylthio)phenyl]methyl]amino]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[methyl-[4-(methylthio)benzyl]amino]propionamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H20ClN3O3S/c1-12(21(2)11-13-4-7-15(26-3)8-5-13)18(23)20-17-9-6-14(22(24)25)10-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,23)