N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(4-chloranylphenoxy)butanamide

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(4-chloranylphenoxy)butanamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-(4-chlorophenoxy)butanamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-(4-chlorophenoxy)butyramide Formula: C17H15Cl2N3O4S MolecularWeight: 428.2897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

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