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

Systemtic Name: [2-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-[2-(4-methylsulfonyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-keto-2-[2-(4-mesylpiperazino)anilino]ethyl] ester Formula: C24H31N5O3S2 MolecularWeight: 501.66464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC(=NC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC(=NC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C24H31N5O3S2/c1-34(31,32)29-17-15-27(16-18-29)22-12-6-5-11-21(22)26-23(30)19-33-24(28-13-7-8-14-28)25-20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-19H2,1H3,(H,26,30)