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

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-3-10-23-20(27)15-6-4-5-7-17(15)24-21(30)25-19(26)14-8-9-18(16(22)13-14)29-12-11-28-2/h3-9,13H,1,10-12H2,2H3,(H,23,27)(H2,24,25,26,30)