2-methyl-1-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]-2-methyl-propan-1-one Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-14(2)7-12-28-18-6-5-16(13-17(18)23(26)27)20(25)22-10-8-21(9-11-22)19(24)15(3)4/h5-6,13-15H,7-12H2,1-4H3