3-phenylsulfanyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)propanamide

Systemtic Name: 3-phenylsulfanyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)propanamide Openeye Name: 3-phenylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)propanamide CAS Name: 3-(phenylthio)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)propanamide IUPAC Name: 3-phenylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)propanamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-3-(phenylthio)propionamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)N(C1=O)C)C

InChI

InChI=1S/C21H24N2O3S/c1-21(2)14-26-18-13-15(9-10-17(18)23(3)20(21)25)22-19(24)11-12-27-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,24)