3-bromanyl-4-hexoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-2-3-4-8-13-29-19-12-11-16(14-18(19)23)21(28)24-22(31)26-25-20(27)15-30-17-9-6-5-7-10-17/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,25,27)(H2,24,26,28,31)