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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-13(20(2)12-14-7-9-17(25-3)10-8-14)18(22)19-15-5-4-6-16(11-15)21(23)24/h4-11,13H,12H2,1-3H3,(H,19,22)