methyl 5-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC)C

InChI

InChI=1S/C19H21ClN2O3S/c1-11-7-12(2)17(15(20)8-11)22-19(26)21-10-13-5-6-16(24-3)14(9-13)18(23)25-4/h5-9H,10H2,1-4H3,(H2,21,22,26)