4-(4-chloranylphenoxy)-N-[(2,6-diethylphenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(2,6-diethylphenyl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(2,6-diethylphenyl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[(2,6-diethylanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(2,6-diethylphenyl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(2,6-diethylphenyl)thiocarbamoyl]butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-3-15-7-5-8-16(4-2)20(15)24-21(27)23-19(25)9-6-14-26-18-12-10-17(22)11-13-18/h5,7-8,10-13H,3-4,6,9,14H2,1-2H3,(H2,23,24,25,27)