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

Systemtic Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(2-methoxyethoxymethyl)-2-imidazolyl]-N-(2-methyl-5-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methyl-5-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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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=CN3COCCOC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3COCCOC

InChI

InChI=1S/C20H27N5O4S/c1-15-3-4-17(25(26)27)13-18(15)22-20(30)23-8-5-16(6-9-23)19-21-7-10-24(19)14-29-12-11-28-2/h3-4,7,10,13,16H,5-6,8-9,11-12,14H2,1-2H3,(H,22,30)