(2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-phenethylpiperidin-4-yl)-4-pyrimidin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-phenethylpiperidin-4-yl)-4-pyrimidin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-N-methyl-1-(1-phenethyl-4-piperidyl)-4-pyrimidin-2-ylsulfanyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-phenethyl-4-piperidinyl)-4-(2-pyrimidinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-phenethylpiperidin-4-yl)-4-pyrimidin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-N-methyl-1-(1-phenethyl-4-piperidyl)-4-(2-pyrimidylthio)pyrrolidine-2-carboxamide Formula: C32H37N5OS2 MolecularWeight: 571.79908

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C(=O)C3CC(CN3C4CCN(CC4)CCC5=CC=CC=C5)SC6=NC=CC=N6

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C(=O)[C@@H]3C[C@H](CN3C4CCN(CC4)CCC5=CC=CC=C5)SC6=NC=CC=N6

InChI

InChI=1S/C32H37N5OS2/c1-35(22-27-20-25-10-5-6-11-30(25)39-27)31(38)29-21-28(40-32-33-15-7-16-34-32)23-37(29)26-13-18-36(19-14-26)17-12-24-8-3-2-4-9-24/h2-11,15-16,20,26,28-29H,12-14,17-19,21-23H2,1H3/t28-,29+/m1/s1