2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O5S/c1-20(2)17(23)11-27-16-6-4-3-5-14(16)18(24)19-10-12-9-13(21(25)26)7-8-15(12)22/h3-9,22H,10-11H2,1-2H3,(H,19,24)