tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(5-chloro-2-pyridyl)carbamothioyl]-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-4-methylanilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(5-chloropyridin-2-yl)carbamothioyl]-4-methylphenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)thiocarbamoyl]-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H29ClN4O3S MolecularWeight: 489.03006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C(=S)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C(=S)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN4O3S/c1-15-5-7-19(18(13-15)22(33)28-20-8-6-17(25)14-26-20)27-21(30)16-9-11-29(12-10-16)23(31)32-24(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,27,30)(H,26,28,33)