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

Systemtic Name: N-[2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]ethyl]-2-methyl-propanamide Openeye Name: N-[2-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]ethyl]-2-methyl-propanamide CAS Name: N-[2-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]ethyl]-2-methylpropanamide Traditional Name: N-[2-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]ethyl]-2-methyl-propionamide Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5S/c1-11(2)16(21)18-7-6-17-15(20)10-25-9-12-4-5-14(24-3)13(8-12)19(22)23/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,20)(H,18,21)