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

Systemtic Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]-2-imidazolyl]-N-(2-methoxy-4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(3,5-dimethoxybenzyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C25H29N5O5S MolecularWeight: 511.59326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C25H29N5O5S/c1-33-20-12-17(13-21(15-20)34-2)16-29-11-8-26-24(29)18-6-9-28(10-7-18)25(36)27-22-5-4-19(30(31)32)14-23(22)35-3/h4-5,8,11-15,18H,6-7,9-10,16H2,1-3H3,(H,27,36)