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

Systemtic Name: methyl 5-ethyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O5S3 MolecularWeight: 483.6246

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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)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S3/c1-4-15-13-17(19(24)28-3)18(30-15)21-20(29)22-9-11-23(12-10-22)31(25,26)16-7-5-14(27-2)6-8-16/h5-8,13H,4,9-12H2,1-3H3,(H,21,29)