2-(4-tert-butylphenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]acetamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c1-19(2,3)12-4-7-14(8-5-12)27-11-17(24)22-18(28)21-13-6-9-15(20)16(10-13)23(25)26/h4-10H,11H2,1-3H3,(H2,21,22,24,28)