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

Systemtic Name: 4-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]methyl]benzamide Openeye Name: 4-[[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]methyl]benzamide CAS Name: 4-[[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]methyl]benzamide IUPAC Name: 4-[[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide Traditional Name: 4-[[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]methyl]benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-26-16-7-4-13(8-15(16)21(24)25)10-27-11-17(22)20-9-12-2-5-14(6-3-12)18(19)23/h2-8H,9-11H2,1H3,(H2,19,23)(H,20,22)