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

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

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)/p+1