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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(5-bromo-2-thiophenyl)methyl-ethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-ethylamino]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetamide Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4S/c1-2-21(8-12-4-6-15(18)26-12)9-16(22)20-17(23)19-11-3-5-13-14(7-11)25-10-24-13/h3-7H,2,8-10H2,1H3,(H2,19,20,22,23)