1-[(2,3-dimethylphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2,3-dimethylphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2,3-dimethylphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(2,3-dimethylanilino)-sulfanylidenemethyl]-N-(2-hydroxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2,3-dimethylphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[(2,3-dimethylphenyl)thiocarbamoyl]-N-(2-hydroxyphenyl)isonipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

InChI

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