6,7-bis(chloranyl)-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide

Systemtic Name: 6,7-bis(chloranyl)-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide Openeye Name: 6,7-dichloro-N-(3-phenyl-4-piperidyl)thiochromane-4-carboxamide CAS Name: 6,7-dichloro-N-(3-phenyl-4-piperidinyl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide IUPAC Name: 6,7-dichloro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide Traditional Name: 6,7-dichloro-N-(3-phenyl-4-piperidyl)thiochroman-4-carboxamide Formula: C21H22Cl2N2OS MolecularWeight: 421.38318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1NC(=O)C2CCSC3=CC(=C(C=C23)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CNCC(C1NC(=O)C2CCSC3=CC(=C(C=C23)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22Cl2N2OS/c22-17-10-15-14(7-9-27-20(15)11-18(17)23)21(26)25-19-6-8-24-12-16(19)13-4-2-1-3-5-13/h1-5,10-11,14,16,19,24H,6-9,12H2,(H,25,26)