1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]propan-1-one Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C

InChI

InChI=1S/C23H23N3OS/c1-16-15-17(2)25-23(24-16)28-14-13-22(27)26-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)26/h3-10,15H,11-14H2,1-2H3