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

Systemtic Name: 3-bromanyl-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)Br

InChI

InChI=1S/C18H18BrN3O4S/c1-26-15-7-6-11(10-13(15)19)16(24)22-18(27)21-14-5-3-2-4-12(14)17(25)20-8-9-23/h2-7,10,23H,8-9H2,1H3,(H,20,25)(H2,21,22,24,27)