N-phenyl-N-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-phenyl-N-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-phenyl-N-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-phenyl-N-[(2-pyrimidinylthio)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-phenyl-N-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-phenyl-N-[(2-pyrimidylthio)methyl]-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)N(CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)N(CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

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