2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-[(2S)-2-phenylbutyl]acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NC=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-2-15(16-8-4-3-5-9-16)12-23-19(26)13-28-22-21-20(24-14-25-22)17-10-6-7-11-18(17)27-21/h3-11,14-15H,2,12-13H2,1H3,(H,23,26)/t15-/m1/s1