1-[(4-methoxyphenyl)methylcarbamothioyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(4-methoxyphenyl)methylcarbamothioyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[(4-methoxyphenyl)methylcarbamothioyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[(4-methoxyphenyl)methylcarbamothioyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-(p-anisylthiocarbamoyl)-N-phenyl-nipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-26-19-11-9-16(10-12-19)14-22-21(27)24-13-5-6-17(15-24)20(25)23-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-15H2,1H3,(H,22,27)(H,23,25)