1-(4-thiomorpholin-4-ylpiperidin-1-yl)-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 1-(4-thiomorpholin-4-ylpiperidin-1-yl)-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-thiomorpholino-1-piperidyl)ethanone CAS Name: 1-(4-thiomorpholin-4-yl-1-piperidinyl)-2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-(4-thiomorpholin-4-ylpiperidin-1-yl)-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-thiomorpholinopiperidino)ethanone Formula: C24H31N3O2S2 MolecularWeight: 457.65184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCSCC2)C(=O)CN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

C1CN(CCC1N2CCSCC2)C(=O)CN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C24H31N3O2S2/c28-24(27-8-5-21(6-9-27)26-10-13-30-14-11-26)17-25-15-19-3-1-2-4-22(19)29-23(16-25)20-7-12-31-18-20/h1-4,7,12,18,21,23H,5-6,8-11,13-17H2