N-(2-hydroxyphenyl)-1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-(p-anisylthiocarbamoyl)isonipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C21H25N3O3S/c1-27-17-8-6-15(7-9-17)14-22-21(28)24-12-10-16(11-13-24)20(26)23-18-4-2-3-5-19(18)25/h2-9,16,25H,10-14H2,1H3,(H,22,28)(H,23,26)