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

Systemtic Name: (4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)methyl]-2-phenyl-1,3-thiazol-5-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)methyl]-2-phenyl-thiazol-5-yl]methanone CAS Name: (4-methyl-1-piperazinyl)-[4-[(3-nitrophenyl)methyl]-2-phenyl-5-thiazolyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[4-[(3-nitrophenyl)methyl]-2-phenyl-1,3-thiazol-5-yl]methanone Traditional Name: (4-methylpiperazino)-[4-(3-nitrobenzyl)-2-phenyl-thiazol-5-yl]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-24-10-12-25(13-11-24)22(27)20-19(15-16-6-5-9-18(14-16)26(28)29)23-21(30-20)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3