methyl 4-(4-ethylpiperazin-1-yl)-3-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-3-24-11-13-25(14-12-24)20-10-9-17(22(27)28-2)15-19(20)23-21(26)16-29-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)