2-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrN3O3S2/c1-14-10-12-24(13-11-14)29(26,27)16-8-6-15(7-9-16)22-20(28)23-19(25)17-4-2-3-5-18(17)21/h2-9,14H,10-13H2,1H3,(H2,22,23,25,28)