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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[(3-methoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(3-methoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H25BrN2O3S/c1-3-4-5-6-12-27-19-11-10-15(22)13-18(19)20(25)24-21(28)23-16-8-7-9-17(14-16)26-2/h7-11,13-14H,3-6,12H2,1-2H3,(H2,23,24,25,28)