methyl 4-ethyl-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-(3-fluorobenzyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H26FN3O2S2/c1-4-17-14(2)29-19(18(17)20(26)27-3)23-21(28)25-10-8-24(9-11-25)13-15-6-5-7-16(22)12-15/h5-7,12H,4,8-11,13H2,1-3H3,(H,23,28)