2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]acetamide Formula: C19H19BrClN3O4S MolecularWeight: 500.79386

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrClN3O4S/c1-10(2)13-8-14(20)11(3)6-17(13)28-9-18(25)23-19(29)22-12-4-5-15(21)16(7-12)24(26)27/h4-8,10H,9H2,1-3H3,(H2,22,23,25,29)