N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

InChI

InChI=1S/C25H30N2O3S/c1-6-13-27-21-12-9-19(15-22(21)30-16-25(4,5)24(27)29)26-23(28)14-18-7-10-20(11-8-18)31-17(2)3/h6-12,15,17H,1,13-14,16H2,2-5H3,(H,26,28)