2-(4-tert-butylphenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-20(2,3)13-5-8-15(9-6-13)28-12-18(24)22-19(29)21-16-11-14(23(25)26)7-10-17(16)27-4/h5-11H,12H2,1-4H3,(H2,21,22,24,29)