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

Systemtic Name: [2-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-[2-(4-methylsulfonyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-keto-2-[2-(4-mesylpiperazino)anilino]ethyl] ester Formula: C24H31N5O4S2 MolecularWeight: 517.66404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC(=NC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC(=NC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H31N5O4S2/c1-35(31,32)29-13-11-27(12-14-29)22-10-6-5-9-21(22)26-23(30)19-34-24(28-15-17-33-18-16-28)25-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3,(H,26,30)