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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28BrN3O3S/c32-26-21-24(15-16-28(26)38-20-18-23-11-5-2-6-12-23)29(36)35-31(39)34-27-14-8-7-13-25(27)30(37)33-19-17-22-9-3-1-4-10-22/h1-16,21H,17-20H2,(H,33,37)(H2,34,35,36,39)