ethyl 3-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-3-26-11-13-27(14-12-26)21-10-5-17(23(29)30-4-2)15-20(21)25-22(28)16-31-19-8-6-18(24)7-9-19/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,28)