2-[2,4-bis(chloranyl)phenoxy]-N-[(2-piperidin-1-ylphenyl)carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(2-piperidin-1-ylphenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[[2-(1-piperidyl)phenyl]carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(2-piperidinophenyl)thiocarbamoyl]propionamide Formula: C21H23Cl2N3O2S MolecularWeight: 452.39722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=CC=C1N2CCCCC2)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=CC=C1N2CCCCC2)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2S/c1-14(28-19-10-9-15(22)13-16(19)23)20(27)25-21(29)24-17-7-3-4-8-18(17)26-11-5-2-6-12-26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H2,24,25,27,29)