N,N-diethyl-4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-4-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]benzamide CAS Name: N,N-diethyl-4-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-4-23(5-2)21(26)16-7-9-17(10-8-16)22-20(25)14-30-13-15-6-11-19(29-3)18(12-15)24(27)28/h6-12H,4-5,13-14H2,1-3H3,(H,22,25)