2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-[3-(methylthio)phenyl]acetamide Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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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=C2)SC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C17H18ClN3O3S/c1-20(10-12-8-14(21(23)24)6-7-16(12)18)11-17(22)19-13-4-3-5-15(9-13)25-2/h3-9H,10-11H2,1-2H3,(H,19,22)