N-(1,3-benzodioxol-5-yl)-2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17BrN2O3S/c1-2-7-20(9-13-4-6-16(18)24-13)10-17(21)19-12-3-5-14-15(8-12)23-11-22-14/h2-6,8H,1,7,9-11H2,(H,19,21)