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

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

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

InChI

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