5-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]isophthalamide Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3S/c1-2-22(8-13-3-4-14(18)26-13)9-15(23)21-12-6-10(16(19)24)5-11(7-12)17(20)25/h3-7H,2,8-9H2,1H3,(H2,19,24)(H2,20,25)(H,21,23)