3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br)OC

InChI

InChI=1S/C22H27BrN2O4S/c1-4-6-11-29-19-9-7-15(12-20(19)27-3)14-24-22(30)25-21(26)16-8-10-18(28-5-2)17(23)13-16/h7-10,12-13H,4-6,11,14H2,1-3H3,(H2,24,25,26,30)