[4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[(2-chlorophenyl)methylthio]-3-nitrophenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[(2-chlorobenzyl)thio]-3-nitro-phenyl]-(4-methylpiperazino)methanone Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3S/c1-21-8-10-22(11-9-21)19(24)14-6-7-18(17(12-14)23(25)26)27-13-15-4-2-3-5-16(15)20/h2-7,12H,8-11,13H2,1H3