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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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