N-[2-[5-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[5-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[5-methyl-1-[2-(1-piperidyl)ethyl]indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[5-methyl-1-[2-(1-piperidinyl)ethyl]-3-indolyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[5-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[5-methyl-1-(2-piperidinoethyl)indol-3-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CCNC(=O)CSC3=NC=CC=N3)CCN4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CCNC(=O)CSC3=NC=CC=N3)CCN4CCCCC4

InChI

InChI=1S/C24H31N5OS/c1-19-6-7-22-21(16-19)20(17-29(22)15-14-28-12-3-2-4-13-28)8-11-25-23(30)18-31-24-26-9-5-10-27-24/h5-7,9-10,16-17H,2-4,8,11-15,18H2,1H3,(H,25,30)