3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21(25-14-12-24(13-15-25)18-7-2-1-3-8-18)16-28-20-11-10-17-6-4-5-9-19(17)23-22(20)27/h1-9,20H,10-16H2,(H,23,27)