(4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)-oxidanyl-methyl]-2-phenyl-1,3-thiazol-5-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)-oxidanyl-methyl]-2-phenyl-1,3-thiazol-5-yl]methanone Openeye Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-5-thiazolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[hydroxy-(3-nitrophenyl)methyl]-2-phenyl-thiazol-5-yl]-(4-methylpiperazino)methanone Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C(C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C(C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H22N4O4S/c1-24-10-12-25(13-11-24)22(28)20-18(23-21(31-20)15-6-3-2-4-7-15)19(27)16-8-5-9-17(14-16)26(29)30/h2-9,14,19,27H,10-13H2,1H3