N-[3-[1-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoyl-methyl-amino]ethyl]phenyl]benzamide

Systemtic Name: N-[3-[1-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoyl-methyl-amino]ethyl]phenyl]benzamide Openeye Name: N-[3-[1-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]-methyl-amino]ethyl]phenyl]benzamide CAS Name: N-[3-[1-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]-methylamino]ethyl]phenyl]benzamide IUPAC Name: N-[3-[1-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]-methylamino]ethyl]phenyl]benzamide Traditional Name: N-[3-[1-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]-methyl-amino]ethyl]phenyl]benzamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O5S/c1-18(21-10-7-11-22(15-21)27-26(31)20-8-5-4-6-9-20)28(2)25(30)17-35-16-19-12-13-24(34-3)23(14-19)29(32)33/h4-15,18H,16-17H2,1-3H3,(H,27,31)