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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(3-methylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-(m-tolylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(3-methylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-(m-tolylthiocarbamoyl)benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2S/c1-3-4-5-6-12-26-19-11-10-16(14-18(19)22)20(25)24-21(27)23-17-9-7-8-15(2)13-17/h7-11,13-14H,3-6,12H2,1-2H3,(H2,23,24,25,27)