N-[2-(pyrimidin-2-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[2-(pyrimidin-2-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[2-(pyrimidin-2-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[2-(2-pyrimidinylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[2-(pyrimidin-2-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[2-(2-pyrimidylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=NC=CC=N4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=NC=CC=N4

InChI

InChI=1S/C22H20N4OS/c27-22(17-10-13-23-18-7-2-1-6-16(18)14-17)26-19-8-3-4-9-20(19)28-15-21-24-11-5-12-25-21/h1-9,11-12,14,23H,10,13,15H2,(H,26,27)