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

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]propionamide Formula: C17H15Cl2N3O4S MolecularWeight: 428.2897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O4S/c1-9-7-12(22(24)25)4-5-14(9)20-17(27)21-16(23)10(2)26-15-6-3-11(18)8-13(15)19/h3-8,10H,1-2H3,(H2,20,21,23,27)