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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(3-cyanophenyl)carbamothioyl]butanamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-(2,4-dichlorophenoxy)butanamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C18H15Cl2N3O2S MolecularWeight: 408.3016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C#N

InChI

InChI=1S/C18H15Cl2N3O2S/c19-13-6-7-16(15(20)10-13)25-8-2-5-17(24)23-18(26)22-14-4-1-3-12(9-14)11-21/h1,3-4,6-7,9-10H,2,5,8H2,(H2,22,23,24,26)