N,N-dimethyl-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[2-[(4-nitrophenyl)thio]propanoyl]-1,4-diazepan-1-yl]acetamide Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC(=O)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC(=O)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4S/c1-14(27-16-7-5-15(6-8-16)22(25)26)18(24)21-10-4-9-20(11-12-21)13-17(23)19(2)3/h5-8,14H,4,9-13H2,1-3H3