4-[[(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]-N,N-dimethyl-benzamide Openeye Name: 4-[[(E)-3-(4-bromo-2-thienyl)-2-cyano-prop-2-enoyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[(E)-3-(4-bromo-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[(E)-3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[(E)-3-(4-bromo-2-thienyl)-2-cyano-acryloyl]amino]-N,N-dimethyl-benzamide Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CS2)Br)C#N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CS2)Br)/C#N

InChI

InChI=1S/C17H14BrN3O2S/c1-21(2)17(23)11-3-5-14(6-4-11)20-16(22)12(9-19)7-15-8-13(18)10-24-15/h3-8,10H,1-2H3,(H,20,22)/b12-7+