5-bromanyl-2-butoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]-5-bromo-2-butoxy-benzamide Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25BrN2O3S/c1-2-3-15-30-23-14-9-19(26)16-22(23)24(29)28-25(32)27-20-10-12-21(13-11-20)31-17-18-7-5-4-6-8-18/h4-14,16H,2-3,15,17H2,1H3,(H2,27,28,29,32)