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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(3-methoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(3-methoxyphenyl)thiocarbamoyl]isonipecotamide Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-26-16-6-4-5-15(13-16)21-20(27)23-11-9-14(10-12-23)19(25)22-17-7-2-3-8-18(17)24/h2-8,13-14,24H,9-12H2,1H3,(H,21,27)(H,22,25)