3-bromanyl-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-2-11-28-17-8-7-13(12-15(17)21)18(26)24-20(29)23-16-6-4-3-5-14(16)19(27)22-9-10-25/h3-8,12,25H,2,9-11H2,1H3,(H,22,27)(H2,23,24,26,29)