2-[2,4-bis(chloranyl)phenoxy]-N-[(3-nitrophenyl)carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(3-nitrophenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)thiocarbamoyl]propionamide Formula: C16H13Cl2N3O4S MolecularWeight: 414.26312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O4S/c1-9(25-14-6-5-10(17)7-13(14)18)15(22)20-16(26)19-11-3-2-4-12(8-11)21(23)24/h2-9H,1H3,(H2,19,20,22,26)