2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18BrNO3S/c1-12-8-14(19)3-5-17(12)24-11-18(21)20-10-13-2-4-15-16(9-13)23-7-6-22-15/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21)