3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide CAS Name: 3-[methyl-[[4-(methylthio)phenyl]methyl]amino]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[methyl-[4-(methylthio)benzyl]amino]-N-(2-nitrophenyl)propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=CC=CC=C1[N+](=O)[O-])CC2=CC=C(C=C2)SC

Isomeric SMILES

CN(CCC(=O)NC1=CC=CC=C1[N+](=O)[O-])CC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H21N3O3S/c1-20(13-14-7-9-15(25-2)10-8-14)12-11-18(22)19-16-5-3-4-6-17(16)21(23)24/h3-10H,11-13H2,1-2H3,(H,19,22)