5-bromanyl-N-[[3-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[[3-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[3-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C)C1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O3S/c1-17(30)29(2)21-10-6-9-20(16-21)27-25(33)28-24(31)22-15-19(26)11-12-23(22)32-14-13-18-7-4-3-5-8-18/h3-12,15-16H,13-14H2,1-2H3,(H2,27,28,31,33)