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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-[1-[(2-methylthiazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-[1-[(2-methyl-4-thiazolyl)methyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-[1-[(2-methylthiazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CC4=CSC(=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CC4=CSC(=N4)C

InChI

InChI=1S/C21H24N6O2S2/c1-14-3-4-18(27(28)29)11-19(14)24-21(30)25-8-5-16(6-9-25)20-22-7-10-26(20)12-17-13-31-15(2)23-17/h3-4,7,10-11,13,16H,5-6,8-9,12H2,1-2H3,(H,24,30)