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

Systemtic Name: methyl 3-chloranyl-6-[(4-fluorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-fluorophenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-fluorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-fluorobenzyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14ClFN2O2S2 MolecularWeight: 408.897363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClFN2O2S2/c1-24-17(23)16-15(19)13-7-6-12(8-14(13)26-16)22-18(25)21-9-10-2-4-11(20)5-3-10/h2-8H,9H2,1H3,(H2,21,22,25)