methyl 3-[[4-[1-[3,5-bis(chloranyl)phenyl]carbonylpiperidin-4-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 3-[[4-[1-[3,5-bis(chloranyl)phenyl]carbonylpiperidin-4-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 3-[[4-[1-(3,5-dichlorobenzoyl)-4-piperidyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[1-[(3,5-dichlorophenyl)-oxomethyl]-4-piperidinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[1-(3,5-dichlorobenzoyl)-4-piperidyl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C26H29Cl2N3O3S MolecularWeight: 534.49776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C26H29Cl2N3O3S/c1-34-25(33)19-3-2-4-23(15-19)29-26(35)31-11-7-18(8-12-31)17-5-9-30(10-6-17)24(32)20-13-21(27)16-22(28)14-20/h2-4,13-18H,5-12H2,1H3,(H,29,35)