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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-methylphenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-(o-tolylcarbamothioyl)butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(2-methylanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-(o-tolylthiocarbamoyl)butyramide Formula: C18H18Cl2N2O2S MolecularWeight: 397.31872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O2S/c1-12-5-2-3-6-15(12)21-18(25)22-17(23)7-4-10-24-16-9-8-13(19)11-14(16)20/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H2,21,22,23,25)