4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholinopropyl)piperazine-1-carbothioamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-[3-(4-morpholinyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholinopropyl)piperazine-1-carbothioamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=S)NCCCN5CCOCC5

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=S)NCCCN5CCOCC5

InChI

InChI=1S/C25H31N5O2S/c33-25(26-10-5-11-28-16-18-31-19-17-28)30-14-12-29(13-15-30)24-20-6-1-3-8-22(20)32-23-9-4-2-7-21(23)27-24/h1-4,6-9H,5,10-19H2,(H,26,33)