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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-cyanophenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-cyanophenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2-cyanoanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2-cyanophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-cyanophenyl)thiocarbamoyl]acetamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H20BrN3O2S/c1-12(2)15-9-16(21)13(3)8-18(15)26-11-19(25)24-20(27)23-17-7-5-4-6-14(17)10-22/h4-9,12H,11H2,1-3H3,(H2,23,24,25,27)