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

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[3-(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=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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