1-(9-fluoranyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: 1-(9-fluoranyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-N-phenethyl-piperidine-3-carboxamide Openeye Name: 1-(9-fluorobenzothiopheno[3,2-d]pyrimidin-4-yl)-N-phenethyl-piperidine-3-carboxamide CAS Name: 1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-N-phenethylpiperidine-3-carboxamide Traditional Name: 1-(9-fluorobenzothiopheno[3,2-d]pyrimidin-4-yl)-N-phenethyl-nipecotamide Formula: C24H23FN4OS MolecularWeight: 434.529023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2SC4=CC=CC(=C43)F)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2=NC=NC3=C2SC4=CC=CC(=C43)F)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C24H23FN4OS/c25-18-9-4-10-19-20(18)21-22(31-19)23(28-15-27-21)29-13-5-8-17(14-29)24(30)26-12-11-16-6-2-1-3-7-16/h1-4,6-7,9-10,15,17H,5,8,11-14H2,(H,26,30)