4-[2,4-bis(chloranyl)phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]butyramide Formula: C18H17Cl2N3O4S MolecularWeight: 442.31628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O4S/c1-11-9-13(23(25)26)5-6-15(11)21-18(28)22-17(24)3-2-8-27-16-7-4-12(19)10-14(16)20/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,24,28)