[2-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-[2-(4-methylsulfonyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-[2-(4-mesylpiperazino)anilino]ethyl] ester Formula: C25H34N6O3S2 MolecularWeight: 530.70586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H34N6O3S2/c1-28-12-14-30(15-13-28)25(26-21-8-4-3-5-9-21)35-20-24(32)27-22-10-6-7-11-23(22)29-16-18-31(19-17-29)36(2,33)34/h3-11H,12-20H2,1-2H3,(H,27,32)