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

Systemtic Name: N-(2-methyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Openeye Name: N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide CAS Name: N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)-2-thiophenecarboxamide IUPAC Name: N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Traditional Name: N-(3-keto-2-methyl-4-phenethyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-16-23(27)25(12-11-17-6-3-2-4-7-17)15-18-14-19(9-10-20(18)28-16)24-22(26)21-8-5-13-29-21/h2-10,13-14,16H,11-12,15H2,1H3,(H,24,26)