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

Systemtic Name: ethyl 3-[[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[1-[(4-methoxyphenyl)methyl]-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(1-p-anisylimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-3-33-25(31)21-5-4-6-22(17-21)28-26(34)29-14-11-20(12-15-29)24-27-13-16-30(24)18-19-7-9-23(32-2)10-8-19/h4-10,13,16-17,20H,3,11-12,14-15,18H2,1-2H3,(H,28,34)