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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C23H28BrN3O3S2 MolecularWeight: 538.52072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S2/c1-23(2,3)19-12-7-16(15-20(19)24)21(28)26-22(31)25-17-8-10-18(11-9-17)32(29,30)27-13-5-4-6-14-27/h7-12,15H,4-6,13-14H2,1-3H3,(H2,25,26,28,31)