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

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-chlorophenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chlorophenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2S2/c1-4-16-13(2)28-18(17(16)19(25)26-3)22-20(27)24-11-9-23(10-12-24)15-7-5-14(21)6-8-15/h5-8H,4,9-12H2,1-3H3,(H,22,27)