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

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

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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)N4CCCC4

Isomeric SMILES

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

InChI

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