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

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]propionamide Formula: C16H13Cl2N3O5S MolecularWeight: 430.26252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O5S/c1-8(26-14-5-2-9(17)6-11(14)18)15(23)20-16(27)19-12-4-3-10(21(24)25)7-13(12)22/h2-8,22H,1H3,(H2,19,20,23,27)