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

Systemtic Name: 5-bromanyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-2-hexoxy-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C29H32BrN3O4S MolecularWeight: 598.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C29H32BrN3O4S/c1-3-5-6-9-18-37-26-17-12-20(30)19-24(26)28(35)33-29(38)32-25-11-8-7-10-23(25)27(34)31-21-13-15-22(16-14-21)36-4-2/h7-8,10-17,19H,3-6,9,18H2,1-2H3,(H,31,34)(H2,32,33,35,38)