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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(phenylthio)propanamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(phenylthio)propionamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-4-13-25-19-11-10-17(15-20(19)28-16-23(2,3)22(25)27)24-21(26)12-14-29-18-8-6-5-7-9-18/h4-11,15H,1,12-14,16H2,2-3H3,(H,24,26)