methyl 3-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[1-(4-benzyloxybutyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C26H32N4O3S2 MolecularWeight: 512.68728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S2/c1-32-25(31)23-22(11-18-35-23)28-26(34)30-14-9-21(10-15-30)24-27-12-16-29(24)13-5-6-17-33-19-20-7-3-2-4-8-20/h2-4,7-8,11-12,16,18,21H,5-6,9-10,13-15,17,19H2,1H3,(H,28,34)