methyl 3-chloranyl-6-[(2,4-dichlorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2,4-dichlorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,4-dichlorophenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2,4-dichlorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2,4-dichlorobenzyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H13Cl3N2O2S2 MolecularWeight: 459.79702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3=C(C=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3=C(C=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C18H13Cl3N2O2S2/c1-25-17(24)16-15(21)12-5-4-11(7-14(12)27-16)23-18(26)22-8-9-2-3-10(19)6-13(9)20/h2-7H,8H2,1H3,(H2,22,23,26)