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

Systemtic Name: 5-bromanyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-bromo-2-propoxy-benzamide CAS Name: 5-bromo-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-bromo-2-propoxy-benzamide Formula: C24H23BrN2O3S MolecularWeight: 499.42002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23BrN2O3S/c1-2-13-29-22-12-11-18(25)14-21(22)23(28)27-24(31)26-19-9-6-10-20(15-19)30-16-17-7-4-3-5-8-17/h3-12,14-15H,2,13,16H2,1H3,(H2,26,27,28,31)