N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-N-methyl-2-[(4-nitrophenyl)thio]propionamide Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=C(C=CC(=C1)Br)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1=C(C=CC(=C1)Br)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN2O4S/c1-12(26-16-7-5-15(6-8-16)21(23)24)18(22)20(2)11-13-10-14(19)4-9-17(13)25-3/h4-10,12H,11H2,1-3H3