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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC)Br

InChI

InChI=1S/C27H28BrN3O4S/c1-3-5-16-35-24-15-10-18(17-22(24)28)25(32)31-27(36)30-23-9-7-6-8-21(23)26(33)29-19-11-13-20(14-12-19)34-4-2/h6-15,17H,3-5,16H2,1-2H3,(H,29,33)(H2,30,31,32,36)