1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(2-thienylmethyl)urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(2-thenyl)urea Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C19H23N3O3S/c1-4-22-15-10-13(21-18(24)20-11-14-6-5-9-26-14)7-8-16(15)25-12-19(2,3)17(22)23/h5-10H,4,11-12H2,1-3H3,(H2,20,21,24)