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

Systemtic Name: 3-bromanyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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