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

Systemtic Name: 3-bromanyl-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-11-6-7-12(10-14(11)19)16(24)22-18(26)21-15-5-3-2-4-13(15)17(25)20-8-9-23/h2-7,10,23H,8-9H2,1H3,(H,20,25)(H2,21,22,24,26)