4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-[(3,5-dimethylisoxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-imidazolyl]-N-(2-methyl-5-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-[(3,5-dimethylisoxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C22H26N6O3S MolecularWeight: 454.54524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CC4=C(ON=C4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CC4=C(ON=C4C)C

InChI

InChI=1S/C22H26N6O3S/c1-14-4-5-18(28(29)30)12-20(14)24-22(32)26-9-6-17(7-10-26)21-23-8-11-27(21)13-19-15(2)25-31-16(19)3/h4-5,8,11-12,17H,6-7,9-10,13H2,1-3H3,(H,24,32)