4-[2,4-bis(chloranyl)phenoxy]-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]butyramide Formula: C21H23Cl2N3O6S MolecularWeight: 516.39482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O6S/c1-29-16-9-12(10-17(30-2)19(16)31-3)20(28)25-26-21(33)24-18(27)5-4-8-32-15-7-6-13(22)11-14(15)23/h6-7,9-11H,4-5,8H2,1-3H3,(H,25,28)(H2,24,26,27,33)