tert-butyl 4-[(3-methylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-methylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-methylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-(methylthio)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-methylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(methylthio)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H26N2O3S/c1-18(2,3)23-17(22)20-10-8-13(9-11-20)16(21)19-14-6-5-7-15(12-14)24-4/h5-7,12-13H,8-11H2,1-4H3,(H,19,21)