ethyl 3-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[1-(4-benzyloxybutyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

InChI=1S/C29H36N4O3S/c1-2-36-28(34)25-11-8-12-26(21-25)31-29(37)33-17-13-24(14-18-33)27-30-15-19-32(27)16-6-7-20-35-22-23-9-4-3-5-10-23/h3-5,8-12,15,19,21,24H,2,6-7,13-14,16-18,20,22H2,1H3,(H,31,37)