3-bromanyl-4-methoxy-N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC(=CC=C2)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC(=CC=C2)OC)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-26-16-7-5-6-15(13-16)23(10-3-4-11-24)20(28)22-19(25)14-8-9-18(27-2)17(21)12-14/h5-9,12-13,24H,3-4,10-11H2,1-2H3,(H,22,25,28)