N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-(quinazolin-4-ylthio)acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC=NC3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC=NC3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-30-19-11-9-18(10-12-19)22(28-13-5-2-6-14-28)15-25-23(29)16-31-24-20-7-3-4-8-21(20)26-17-27-24/h3-4,7-12,17,22H,2,5-6,13-16H2,1H3,(H,25,29)