N-(4-cyclohexyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide

Systemtic Name: N-(4-cyclohexyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Openeye Name: N-(4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide CAS Name: N-(4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-thiophenecarboxamide IUPAC Name: N-(4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Traditional Name: N-(4-cyclohexyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)C4CCCCC4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C22H26N2O3S/c1-2-18-22(26)24(17-7-4-3-5-8-17)14-15-13-16(10-11-19(15)27-18)23-21(25)20-9-6-12-28-20/h6,9-13,17-18H,2-5,7-8,14H2,1H3,(H,23,25)