tert-butyl 4-[2-(3-chloranyl-4-methyl-phenyl)-4-[(3-methylsulfanylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-4-methyl-phenyl)-4-[(3-methylsulfanylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-4-methyl-phenyl)-4-[(3-methylsulfanylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-4-methylphenyl)-4-[[3-(methylthio)anilino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-4-methylphenyl)-4-[(3-methylsulfanylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-4-methyl-phenyl)-4-[[3-(methylthio)phenyl]carbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33ClN4O3S MolecularWeight: 541.10462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C28H33ClN4O3S/c1-18-9-10-21(16-24(18)29)33-25(19-11-13-32(14-12-19)27(35)36-28(2,3)4)23(17-30-33)26(34)31-20-7-6-8-22(15-20)37-5/h6-10,15-17,19H,11-14H2,1-5H3,(H,31,34)