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

Systemtic Name: methyl 2-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[(4-methyl-1-piperazinyl)-phenyliminomethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[C-(4-methylpiperazin-1-yl)-N-phenylcarbonimidoyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[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=CC=C3C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

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