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

Systemtic Name: 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-[(3,5-dimethylisoxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-imidazolyl]-N-(2-methoxy-4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-[(3,5-dimethylisoxazol-4-yl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C=CN=C2C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C=CN=C2C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N6O4S/c1-14-18(15(2)32-25-14)13-27-11-8-23-21(27)16-6-9-26(10-7-16)22(33)24-19-5-4-17(28(29)30)12-20(19)31-3/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3,(H,24,33)