N-(9H-xanthen-9-yl)-5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbothioamide

Systemtic Name: N-(9H-xanthen-9-yl)-5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbothioamide Openeye Name: N-(9H-xanthen-9-yl)-5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbothioamide CAS Name: N-(9H-xanthen-9-yl)-5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbothioamide IUPAC Name: N-(9H-xanthen-9-yl)-5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbothioamide Traditional Name: N-(9H-xanthen-9-yl)-5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbothioamide Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(=S)C4C5=CC=CC=C5OC6=CC=CC=C6N4

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(=S)C4C5=CC=CC=C5OC6=CC=CC=C6N4

InChI

InChI=1S/C27H20N2O2S/c32-27(26-19-11-3-7-15-23(19)31-24-16-8-4-12-20(24)28-26)29-25-17-9-1-5-13-21(17)30-22-14-6-2-10-18(22)25/h1-16,25-26,28H,(H,29,32)