N-(3-bromanyl-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12-3-4-13(9-15(12)19)20-18(21)11-24-14-5-6-16-17(10-14)23-8-2-7-22-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,21)