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

Systemtic Name: N-[2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]ethyl]benzamide Openeye Name: N-[2-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]ethyl]benzamide CAS Name: N-[2-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]ethyl]benzamide IUPAC Name: N-[2-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]ethyl]benzamide Traditional Name: N-[2-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]ethyl]benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCCNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCCNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-27-17-8-7-14(11-16(17)22(25)26)12-28-13-18(23)20-9-10-21-19(24)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,24)