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

Systemtic Name: ethyl 3-[[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[1-(2-methoxyethoxymethyl)-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3COCCOC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3COCCOC

InChI

InChI=1S/C22H30N4O4S/c1-3-30-21(27)18-5-4-6-19(15-18)24-22(31)25-10-7-17(8-11-25)20-23-9-12-26(20)16-29-14-13-28-2/h4-6,9,12,15,17H,3,7-8,10-11,13-14,16H2,1-2H3,(H,24,31)