2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C24H30BrN3O4S2 MolecularWeight: 568.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H30BrN3O4S2/c1-16(2)20-14-21(25)17(3)13-22(20)32-15-23(29)27-24(33)26-18-7-9-19(10-8-18)34(30,31)28-11-5-4-6-12-28/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H2,26,27,29,33)