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

Systemtic Name: 2-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]benzamide Openeye Name: 2-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]benzamide CAS Name: 2-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 2-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2Br)OC

InChI

InChI=1S/C20H23BrN2O3S/c1-3-4-11-26-17-10-9-14(12-18(17)25-2)13-22-20(27)23-19(24)15-7-5-6-8-16(15)21/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,23,24,27)