3-bromanyl-4-ethoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C23H21BrN2O3S/c1-2-28-21-12-11-17(13-20(21)24)22(27)26-23(30)25-18-9-6-10-19(14-18)29-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H2,25,26,27,30)