N-(2,3-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-[(4-nitrophenyl)thio]propanoyl]piperazino]acetamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H28N4O4S/c1-16-5-4-6-21(17(16)2)24-22(28)15-25-11-13-26(14-12-25)23(29)18(3)32-20-9-7-19(8-10-20)27(30)31/h4-10,18H,11-15H2,1-3H3,(H,24,28)