2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C19H20ClN3O3S/c1-3-10-27-18-7-5-4-6-17(18)21-19(24)13-22(2)12-14-11-15(23(25)26)8-9-16(14)20/h3-9,11H,1,10,12-13H2,2H3,(H,21,24)