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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15Cl2N3O4S/c18-11-3-8-15(14(19)10-11)26-9-1-2-16(23)21-17(27)20-12-4-6-13(7-5-12)22(24)25/h3-8,10H,1-2,9H2,(H2,20,21,23,27)