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

Systemtic Name: 5-bromanyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C26H26BrN3O4S/c1-3-15-34-23-14-9-17(27)16-21(23)25(32)30-26(35)29-22-8-6-5-7-20(22)24(31)28-18-10-12-19(13-11-18)33-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,28,31)(H2,29,30,32,35)