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

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-(3-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-(3-fluorophenyl)piperazine-1-carbothioamide Formula: C24H21FN4OS MolecularWeight: 432.513143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=S)NC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=S)NC5=CC(=CC=C5)F

InChI

InChI=1S/C24H21FN4OS/c25-17-6-5-7-18(16-17)26-24(31)29-14-12-28(13-15-29)23-19-8-1-3-10-21(19)30-22-11-4-2-9-20(22)27-23/h1-11,16H,12-15H2,(H,26,31)