5-[[(E)-3-[5-(4-bromophenyl)thiophen-2-yl]prop-2-enoyl]amino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[[(E)-3-[5-(4-bromophenyl)thiophen-2-yl]prop-2-enoyl]amino]benzene-1,3-dicarboxamide Openeye Name: 5-[[(E)-3-[5-(4-bromophenyl)-2-thienyl]prop-2-enoyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[(E)-3-[5-(4-bromophenyl)-2-thiophenyl]-1-oxoprop-2-enyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[(E)-3-[5-(4-bromophenyl)thiophen-2-yl]prop-2-enoyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[(E)-3-[5-(4-bromophenyl)-2-thienyl]acryloyl]amino]isophthalamide Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(S2)C=CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(S2)/C=C/C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)Br

InChI

InChI=1S/C21H16BrN3O3S/c22-15-3-1-12(2-4-15)18-7-5-17(29-18)6-8-19(26)25-16-10-13(20(23)27)9-14(11-16)21(24)28/h1-11H,(H2,23,27)(H2,24,28)(H,25,26)/b8-6+