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

Systemtic Name: 5-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H30BrN3O4S2 MolecularWeight: 616.5895

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(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

CC1CCN(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/C28H30BrN3O4S2/c1-20-13-16-32(17-14-20)38(34,35)24-10-8-23(9-11-24)30-28(37)31-27(33)25-19-22(29)7-12-26(25)36-18-15-21-5-3-2-4-6-21/h2-12,19-20H,13-18H2,1H3,(H2,30,31,33,37)