ethyl 1-[(4-methylsulfanylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(methylthio)anilino]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[[4-(methylthio)phenyl]carbamoyl]nipecotic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=C(C=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=C(C=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-3-28-21(26)23(16-18-8-5-4-6-9-18)14-7-15-25(17-23)22(27)24-19-10-12-20(29-2)13-11-19/h4-6,8-13H,3,7,14-17H2,1-2H3,(H,24,27)