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

Systemtic Name: 3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C25H33BrN2O4S MolecularWeight: 537.50952

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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)OCCC(C)C)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O4S/c1-5-6-12-31-22-9-7-18(14-23(22)30-4)16-27-25(33)28-24(29)19-8-10-21(20(26)15-19)32-13-11-17(2)3/h7-10,14-15,17H,5-6,11-13,16H2,1-4H3,(H2,27,28,29,33)