methyl 3-chloranyl-6-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(3-fluorobenzyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H21ClFN3O2S2 MolecularWeight: 478.002443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O2S2/c1-29-21(28)20-19(23)17-6-5-16(12-18(17)31-20)25-22(30)27-9-7-26(8-10-27)13-14-3-2-4-15(24)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,25,30)