5-bromanyl-2-ethoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

InChI

InChI=1S/C20H20BrN3O3S/c1-3-11-22-18(25)14-7-5-6-8-16(14)23-20(28)24-19(26)15-12-13(21)9-10-17(15)27-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,22,25)(H2,23,24,26,28)