2-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]acetamide CAS Name: 2-[4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]acetamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O4S/c1-19(2)10-15-34-23-9-8-21(16-22(23)29(32)33)25(31)28-13-11-27(12-14-28)18-24(30)26-17-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,30)