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

Systemtic Name: [2-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-[2-(4-methylsulfonyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-keto-2-[2-(4-mesylpiperazino)anilino]ethyl] ester Formula: C25H33N5O3S2 MolecularWeight: 515.69122

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)N4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC(=NC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C25H33N5O3S2/c1-35(32,33)30-18-16-28(17-19-30)23-13-7-6-12-22(23)27-24(31)20-34-25(29-14-8-3-9-15-29)26-21-10-4-2-5-11-21/h2,4-7,10-13H,3,8-9,14-20H2,1H3,(H,27,31)