N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-4-(4-tert-butylphenoxy)butanamide

Systemtic Name: N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(3,5-dichlorophenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(3,5-dichloroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(3,5-dichlorophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(3,5-dichlorophenyl)thiocarbamoyl]butyramide Formula: C21H24Cl2N2O2S MolecularWeight: 439.39846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C21H24Cl2N2O2S/c1-21(2,3)14-6-8-18(9-7-14)27-10-4-5-19(26)25-20(28)24-17-12-15(22)11-16(23)13-17/h6-9,11-13H,4-5,10H2,1-3H3,(H2,24,25,26,28)