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

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-cyclopropyl-piperazine-1-carbothioamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-cyclopropyl-piperazine-1-carbothioamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CC1NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C21H22N4OS/c27-21(22-15-9-10-15)25-13-11-24(12-14-25)20-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)23-20/h1-8,15H,9-14H2,(H,22,27)