2-bromanyl-N-[(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(2-piperidino-5-piperidinosulfonyl-phenyl)thiocarbamoyl]benzamide Formula: C24H29BrN4O3S2 MolecularWeight: 565.54606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H29BrN4O3S2/c25-20-10-4-3-9-19(20)23(30)27-24(33)26-21-17-18(34(31,32)29-15-7-2-8-16-29)11-12-22(21)28-13-5-1-6-14-28/h3-4,9-12,17H,1-2,5-8,13-16H2,(H2,26,27,30,33)