3-bromanyl-4-ethoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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