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

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

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