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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-22(26-14-12-25(13-15-26)16-18-6-2-1-3-7-18)17-29-21-11-10-19-8-4-5-9-20(19)24-23(21)28/h1-9,21H,10-17H2,(H,24,28)