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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(2-methoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[(2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(o-anisoylamino)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)C2=CC=CC=C2OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OC)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-3-4-5-8-13-30-19-12-11-15(14-17(19)23)20(27)24-22(31)26-25-21(28)16-9-6-7-10-18(16)29-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,25,28)(H2,24,26,27,31)