5-bromanyl-2-phenethyloxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C27H28BrN3O4S2 MolecularWeight: 602.56292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O4S2/c28-21-9-14-25(35-18-15-20-7-3-1-4-8-20)24(19-21)26(32)30-27(36)29-22-10-12-23(13-11-22)37(33,34)31-16-5-2-6-17-31/h1,3-4,7-14,19H,2,5-6,15-18H2,(H2,29,30,32,36)