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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(3-nitrophenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)thiocarbamoyl]butyramide Formula: C17H15Cl2N3O4S MolecularWeight: 428.2897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O4S/c18-11-6-7-15(14(19)9-11)26-8-2-5-16(23)21-17(27)20-12-3-1-4-13(10-12)22(24)25/h1,3-4,6-7,9-10H,2,5,8H2,(H2,20,21,23,27)