N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-(8-quinolylthio)acetamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=CC=C2

InChI

InChI=1S/C19H17ClN4O3S/c20-15-11-14(24(26)27)6-7-16(15)21-9-10-22-18(25)12-28-17-5-1-3-13-4-2-8-23-19(13)17/h1-8,11,21H,9-10,12H2,(H,22,25)