5-bromanyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C31H28BrN3O4S MolecularWeight: 618.54072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C31H28BrN3O4S/c1-2-38-24-15-13-23(14-16-24)33-29(36)25-10-6-7-11-27(25)34-31(40)35-30(37)26-20-22(32)12-17-28(26)39-19-18-21-8-4-3-5-9-21/h3-17,20H,2,18-19H2,1H3,(H,33,36)(H2,34,35,37,40)