3-bromanyl-4-ethoxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)Br

InChI

InChI=1S/C25H24BrN3O3S/c1-3-32-22-14-13-18(15-20(22)26)23(30)29-25(33)28-21-12-8-7-11-19(21)24(31)27-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,27,31)(H2,28,29,30,33)