N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[1-(3,4-dichlorobenzyl)-4-piperidyl]-2-(2-pyrimidylthio)acetamide Formula: C18H20Cl2N4OS MolecularWeight: 411.3486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CSC2=NC=CC=N2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1NC(=O)CSC2=NC=CC=N2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4OS/c19-15-3-2-13(10-16(15)20)11-24-8-4-14(5-9-24)23-17(25)12-26-18-21-6-1-7-22-18/h1-3,6-7,10,14H,4-5,8-9,11-12H2,(H,23,25)