N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C27H30BrN3O4S MolecularWeight: 572.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C27H30BrN3O4S/c1-2-3-4-5-8-17-34-21-14-11-20(12-15-21)26(33)29-27(36)31-30-24(32)18-35-23-16-13-19-9-6-7-10-22(19)25(23)28/h6-7,9-16H,2-5,8,17-18H2,1H3,(H,30,32)(H2,29,31,33,36)