N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-thiadiazole-5-carboxamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-propyl-5-thiadiazolecarboxamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-propylthiadiazole-5-carboxamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-thiadiazole-5-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4N(C3=O)CC

Isomeric SMILES

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4N(C3=O)CC

InChI

InChI=1S/C21H20N4O3S/c1-3-7-15-19(29-24-23-15)20(26)22-13-10-11-17-14(12-13)21(27)25(4-2)16-8-5-6-9-18(16)28-17/h5-6,8-12H,3-4,7H2,1-2H3,(H,22,26)