tert-butyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-4-phenylazanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-4-phenylazanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-anilino-4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-anilino-4-[[2-[(2-cyanophenyl)methylthio]ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-anilino-4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-anilino-4-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NCCSCC2=CC=CC=C2C#N)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NCCSCC2=CC=CC=C2C#N)NC3=CC=CC=C3

InChI

InChI=1S/C27H34N4O3S/c1-26(2,3)34-25(33)31-16-13-27(14-17-31,30-23-11-5-4-6-12-23)24(32)29-15-18-35-20-22-10-8-7-9-21(22)19-28/h4-12,30H,13-18,20H2,1-3H3,(H,29,32)