5-bromanyl-2-butoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-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=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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