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

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H31BrN2O4S MolecularWeight: 571.52574

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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)OCCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C28H31BrN2O4S/c1-3-4-15-34-25-12-10-21(17-26(25)33-2)19-30-28(36)31-27(32)23-18-22(29)11-13-24(23)35-16-14-20-8-6-5-7-9-20/h5-13,17-18H,3-4,14-16,19H2,1-2H3,(H2,30,31,32,36)