butyl 1-[3-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: butyl 1-[3-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: butyl 1-[3-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-(carbamothioylamino)phenyl]-4-phenyl-4-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 1-[3-(carbamothioylamino)phenyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-(3-thioureidophenyl)isonipecotic acid butyl ester Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCN(CC1)C2=CC(=CC=C2)NC(=S)N)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1(CCN(CC1)C2=CC(=CC=C2)NC(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-2-3-16-28-21(27)23(18-8-5-4-6-9-18)12-14-26(15-13-23)20-11-7-10-19(17-20)25-22(24)29/h4-11,17H,2-3,12-16H2,1H3,(H3,24,25,29)