ethyl 3-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[1-[(4-isopropylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[1-[(4-propan-2-ylphenyl)methyl]-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[1-(4-isopropylbenzyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O2S/c1-4-34-27(33)24-6-5-7-25(18-24)30-28(35)31-15-12-23(13-16-31)26-29-14-17-32(26)19-21-8-10-22(11-9-21)20(2)3/h5-11,14,17-18,20,23H,4,12-13,15-16,19H2,1-3H3,(H,30,35)