[4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[(4-methoxyphenyl)thio]-3-nitrophenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-(4-methoxyphenyl)sulfanyl-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[(4-methoxyphenyl)thio]-3-nitro-phenyl]-(4-methylpiperazino)methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-20-9-11-21(12-10-20)19(23)14-3-8-18(17(13-14)22(24)25)27-16-6-4-15(26-2)5-7-16/h3-8,13H,9-12H2,1-2H3