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

Systemtic Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]-2-imidazolyl]-N-(2-methyl-5-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(2-methyl-5-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(3,5-dimethoxybenzyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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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=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H29N5O4S/c1-17-4-5-20(30(31)32)14-23(17)27-25(35)28-9-6-19(7-10-28)24-26-8-11-29(24)16-18-12-21(33-2)15-22(13-18)34-3/h4-5,8,11-15,19H,6-7,9-10,16H2,1-3H3,(H,27,35)