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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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