N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-ethylsulfanyl-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-ethylsulfanyl-benzamide Openeye Name: 2-ethylsulfanyl-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(ethylthio)benzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-ethylsulfanylbenzamide Traditional Name: 2-(ethylthio)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

InChI

InChI=1S/C25H32N2O3S/c1-6-31-22-10-8-7-9-19(22)23(28)26-18-11-12-20-21(15-18)30-16-25(4,5)24(29)27(20)14-13-17(2)3/h7-12,15,17H,6,13-14,16H2,1-5H3,(H,26,28)