1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-chloro-4-methyl-phenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-N-(2-hydroxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-chloro-4-methylphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-N-(2-hydroxyphenyl)isonipecotamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-13-6-7-15(12-16(13)21)22-20(27)24-10-8-14(9-11-24)19(26)23-17-4-2-3-5-18(17)25/h2-7,12,14,25H,8-11H2,1H3,(H,22,27)(H,23,26)