3-bromanyl-N-[[3-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[[3-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[3-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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