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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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