N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-(3-methyl-4-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-(3-methyl-4-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C(C)C

InChI

InChI=1S/C19H20BrN3O4S/c1-11(2)15-6-5-14(8-12(15)3)27-10-18(24)22-19(28)21-17-7-4-13(23(25)26)9-16(17)20/h4-9,11H,10H2,1-3H3,(H2,21,22,24,28)