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

Systemtic Name: [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(4-tert-butylthiazol-2-yl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(4-tert-butyl-2-thiazolyl)methyl]-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(4-tert-butylthiazol-2-yl)methyl]piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC(=CS3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC(=CS3)C(C)(C)C

InChI

InChI=1S/C20H26N4O3S/c1-14-15(6-5-7-16(14)24(26)27)19(25)23-10-8-22(9-11-23)12-18-21-17(13-28-18)20(2,3)4/h5-7,13H,8-12H2,1-4H3