(2-methoxy-5-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]methanone Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

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