5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-4-5-10-28-18-8-6-14(11-19(18)27-3)13-23-21(29)24-20(25)16-12-15(22)7-9-17(16)26-2/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,23,24,25,29)