4-[[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(E)-3-(5-bromo-2-thienyl)acryloyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C17H17BrN2O2S/c1-19-17(22)13-5-3-12(4-6-13)11-20(2)16(21)10-8-14-7-9-15(18)23-14/h3-10H,11H2,1-2H3,(H,19,22)/b10-8+