[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: [3-methyl-4-(m-tolyl)piperazin-1-yl]-[4-(2-morpholinoethylsulfanyl)-3-nitro-phenyl]methanone CAS Name: [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[4-[2-(4-morpholinyl)ethylthio]-3-nitrophenyl]methanone IUPAC Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [3-methyl-4-(m-tolyl)piperazino]-[4-(2-morpholinoethylthio)-3-nitro-phenyl]methanone Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)SCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)SCCN4CCOCC4)[N+](=O)[O-]

InChI

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