methyl 5-[[[3,5-bis(chloranyl)phenyl]carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[3,5-bis(chloranyl)phenyl]carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(3,5-dichlorophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(3,5-dichlorophenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(3,5-dichlorophenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C17H16Cl2N2O3S/c1-23-15-4-3-10(5-14(15)16(22)24-2)9-20-17(25)21-13-7-11(18)6-12(19)8-13/h3-8H,9H2,1-2H3,(H2,20,21,25)