cyclopropyl-[4-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[3-nitro-4-(p-tolylsulfanyl)benzoyl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[3-nitro-4-(p-tolylthio)benzoyl]piperazino]methanone Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-15-2-7-18(8-3-15)30-20-9-6-17(14-19(20)25(28)29)22(27)24-12-10-23(11-13-24)21(26)16-4-5-16/h2-3,6-9,14,16H,4-5,10-13H2,1H3