3-bromanyl-4-hexoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C25H32BrN3O4S2 MolecularWeight: 582.57328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C25H32BrN3O4S2/c1-2-3-4-8-17-33-23-14-9-19(18-22(23)26)24(30)28-25(34)27-20-10-12-21(13-11-20)35(31,32)29-15-6-5-7-16-29/h9-14,18H,2-8,15-17H2,1H3,(H2,27,28,30,34)