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

Systemtic Name: methyl 5-ethyl-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O4S3 MolecularWeight: 471.589083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C19H22FN3O4S3/c1-3-14-12-16(18(24)27-2)17(29-14)21-19(28)22-8-10-23(11-9-22)30(25,26)15-6-4-13(20)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,21,28)