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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)C)N(C3=O)C

Isomeric SMILES

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)C)N(C3=O)C

InChI

InChI=1S/C21H20N4O3S/c1-4-5-15-19(29-24-23-15)20(26)22-13-7-9-17-14(11-13)21(27)25(3)16-10-12(2)6-8-18(16)28-17/h6-11H,4-5H2,1-3H3,(H,22,26)