3-bromanyl-4-methoxy-N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[4-hydroxybutyl(1-naphthyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-hydroxybutyl(1-naphthalenyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[4-hydroxybutyl(naphthalen-1-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[4-hydroxybutyl(1-naphthyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C23H23BrN2O3S MolecularWeight: 487.40932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C23H23BrN2O3S/c1-29-21-12-11-17(15-19(21)24)22(28)25-23(30)26(13-4-5-14-27)20-10-6-8-16-7-2-3-9-18(16)20/h2-3,6-12,15,27H,4-5,13-14H2,1H3,(H,25,28,30)