N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(thiophen-2-ylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(thiophen-2-ylmethylsulfanyl)ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(2-thienylmethylsulfanyl)acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(thiophen-2-ylmethylthio)acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(2-thenylthio)acetamide Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)CSCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O3S2/c17-14-9-12(20(22)23)4-5-15(14)18-6-2-7-19-16(21)11-24-10-13-3-1-8-25-13/h1,3-5,8-9,18H,2,6-7,10-11H2,(H,19,21)