N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-prop-2-enylsulfanyl-ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-prop-2-enylsulfanyl-ethanamide Openeye Name: 2-allylsulfanyl-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(prop-2-enylthio)acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-prop-2-enylsulfanylacetamide Traditional Name: 2-(allylthio)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(=O)NCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCSCC(=O)NCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H18ClN3O3S/c1-2-8-22-10-14(19)17-7-3-6-16-13-5-4-11(18(20)21)9-12(13)15/h2,4-5,9,16H,1,3,6-8,10H2,(H,17,19)