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

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C31H28BrN3O3S MolecularWeight: 602.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C31H28BrN3O3S/c1-21(23-12-6-3-7-13-23)33-30(37)25-14-8-9-15-27(25)34-31(39)35-29(36)24-16-17-28(26(32)20-24)38-19-18-22-10-4-2-5-11-22/h2-17,20-21H,18-19H2,1H3,(H,33,37)(H2,34,35,36,39)