butyl 1-[2-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: butyl 1-[2-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: butyl 1-[2-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-(carbamothioylamino)phenyl]-4-phenyl-4-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 1-[2-(carbamothioylamino)phenyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-(2-thioureidophenyl)isonipecotic acid butyl ester Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCN(CC1)C2=CC=CC=C2NC(=S)N)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1(CCN(CC1)C2=CC=CC=C2NC(=S)N)C3=CC=CC=C3

InChI

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