3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(1-phenylethyl)propanamide

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(1-phenylethyl)propanamide CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(1-phenylethyl)propanamide IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(1-phenylethyl)propionamide Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCSCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCSCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C20H22BrNO3S/c1-14(15-5-3-2-4-6-15)22-20(23)7-10-26-13-16-11-18-19(12-17(16)21)25-9-8-24-18/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,23)