2-(4-bromanyl-3-methyl-phenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-[(4-morpholinosulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C20H22BrN3O5S2 MolecularWeight: 528.43978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C20H22BrN3O5S2/c1-14-12-16(4-7-18(14)21)29-13-19(25)23-20(30)22-15-2-5-17(6-3-15)31(26,27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H2,22,23,25,30)