methyl 4-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(4-methyl-1-piperazinyl)-phenyliminomethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[C-(4-methylpiperazin-1-yl)-N-phenylcarbonimidoyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[C-(4-methylpiperazino)-N-phenyl-carbonimidoyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O3S/c1-25-12-14-26(15-13-25)22(24-18-6-4-3-5-7-18)30-16-20(27)23-19-10-8-17(9-11-19)21(28)29-2/h3-11H,12-16H2,1-2H3,(H,23,27)