4-(4-chloranylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-(homoveratrylthiocarbamoyl)butyramide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C21H25ClN2O4S/c1-26-18-10-5-15(14-19(18)27-2)11-12-23-21(29)24-20(25)4-3-13-28-17-8-6-16(22)7-9-17/h5-10,14H,3-4,11-13H2,1-2H3,(H2,23,24,25,29)