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

Systemtic Name: methyl 2-[(4-chlorophenyl)carbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-chlorophenyl)carbamothioylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)carbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O4S/c1-22-14-8-12(16(21)24-3)13(9-15(14)23-2)20-17(25)19-11-6-4-10(18)5-7-11/h4-9H,1-3H3,(H2,19,20,25)