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

Systemtic Name: 5-bromanyl-2-butoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-benzyloxyphenyl)carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[(2-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-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=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC3=CC=CC=C3

InChI

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