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

Systemtic Name: ethyl 1-[2-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-(carbamothioylamino)phenyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(carbamothioylamino)phenyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-(2-thioureidophenyl)isonipecotic acid ethyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-2-26-19(25)21(16-8-4-3-5-9-16)12-14-24(15-13-21)18-11-7-6-10-17(18)23-20(22)27/h3-11H,2,12-15H2,1H3,(H3,22,23,27)