1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(4-ethoxyanilino)-sulfanylidenemethyl]-N-(2-hydroxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-(p-phenetylthiocarbamoyl)isonipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C21H25N3O3S/c1-2-27-17-9-7-16(8-10-17)22-21(28)24-13-11-15(12-14-24)20(26)23-18-5-3-4-6-19(18)25/h3-10,15,25H,2,11-14H2,1H3,(H,22,28)(H,23,26)