4-benzo[b][1,4]benzoxazepin-6-yl-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-methyl-piperazine-1-carbothioamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

CNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C19H20N4OS/c1-20-19(25)23-12-10-22(11-13-23)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)21-18/h2-9H,10-13H2,1H3,(H,20,25)