ethyl 3-[[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[1-[(3,5-dimethoxyphenyl)methyl]-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[1-(3,5-dimethoxybenzyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H32N4O4S/c1-4-35-26(32)21-6-5-7-22(16-21)29-27(36)30-11-8-20(9-12-30)25-28-10-13-31(25)18-19-14-23(33-2)17-24(15-19)34-3/h5-7,10,13-17,20H,4,8-9,11-12,18H2,1-3H3,(H,29,36)