2-[2,4-bis(chloranyl)phenoxy]-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]propionamide Formula: C17H15Cl2N3O5S MolecularWeight: 444.2891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O5S/c1-9(27-14-6-3-10(18)7-12(14)19)16(23)21-17(28)20-13-5-4-11(22(24)25)8-15(13)26-2/h3-9H,1-2H3,(H2,20,21,23,28)