3-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 3-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 3-[[(E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoyl]amino]-N-thiazol-2-yl-benzamide CAS Name: 3-[[(E)-3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-N-(2-thiazolyl)benzamide IUPAC Name: 3-[[(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 3-[[(E)-3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-N-thiazol-2-yl-benzamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3

InChI

InChI=1S/C21H18BrN3O3S/c1-2-28-18-8-7-16(22)12-14(18)6-9-19(26)24-17-5-3-4-15(13-17)20(27)25-21-23-10-11-29-21/h3-13H,2H2,1H3,(H,24,26)(H,23,25,27)/b9-6+