diethyl 5-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(4-fluorobenzyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H28FN3O4S2 MolecularWeight: 493.614523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4S2/c1-4-30-21(28)18-15(3)19(22(29)31-5-2)33-20(18)25-23(32)27-12-10-26(11-13-27)14-16-6-8-17(24)9-7-16/h6-9H,4-5,10-14H2,1-3H3,(H,25,32)