2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19BrN2O3S/c1-2-7-21(11-14-4-6-17(19)25-14)12-18(22)20-13-3-5-15-16(10-13)24-9-8-23-15/h2-6,10H,1,7-9,11-12H2,(H,20,22)