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

Systemtic Name: methyl 1-[3-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-(carbamothioylamino)phenyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-(carbamothioylamino)phenyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(carbamothioylamino)phenyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-(3-thioureidophenyl)isonipecotic acid methyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-25-18(24)20(15-6-3-2-4-7-15)10-12-23(13-11-20)17-9-5-8-16(14-17)22-19(21)26/h2-9,14H,10-13H2,1H3,(H3,21,22,26)