N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(o-tolylthio)acetamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-13-5-2-3-6-17(13)26-12-18(23)21-10-4-9-20-16-8-7-14(22(24)25)11-15(16)19/h2-3,5-8,11,20H,4,9-10,12H2,1H3,(H,21,23)