5-bromanyl-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-4-5-6-7-14-30-21-13-8-17(24)15-20(21)22(29)26-23(31)25-18-9-11-19(12-10-18)27(3)16(2)28/h8-13,15H,4-7,14H2,1-3H3,(H2,25,26,29,31)