N-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide

Systemtic Name: N-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]-4-(4-methylphenoxy)butyramide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C20H23ClN2O2S/c1-13-6-8-16(9-7-13)25-10-4-5-18(24)22-20(26)23-19-15(3)11-14(2)12-17(19)21/h6-9,11-12H,4-5,10H2,1-3H3,(H2,22,23,24,26)