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

Systemtic Name: tert-butyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[(2-cyanophenyl)methylthio]ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)27-20(26)24-11-8-16(9-12-24)19(25)23-10-13-28-15-18-7-5-4-6-17(18)14-22/h4-7,16H,8-13,15H2,1-3H3,(H,23,25)