methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-chlorobenzyl)thiocarbamoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C18H19ClN2O4S/c1-23-15-8-13(17(22)25-3)14(9-16(15)24-2)21-18(26)20-10-11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3,(H2,20,21,26)