2-(2-bromanyl-4-methyl-phenoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]acetamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C22H26BrN3O4S2/c1-15-9-11-26(12-10-15)32(28,29)18-6-4-17(5-7-18)24-22(31)25-21(27)14-30-20-8-3-16(2)13-19(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H2,24,25,27,31)