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

Systemtic Name: 5-bromanyl-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-5-bromo-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-5-bromo-2-propoxy-benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

InChI

InChI=1S/C21H22BrN3O3S/c1-3-11-23-19(26)15-7-5-6-8-17(15)24-21(29)25-20(27)16-13-14(22)9-10-18(16)28-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,23,26)(H2,24,25,27,29)