[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SCC(=O)NC4CC4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SCC(=O)NC4CC4

InChI

InChI=1S/C25H29N3O4S/c1-18(24(30)28-15-13-27(14-16-28)20-7-3-2-4-8-20)32-25(31)21-9-5-6-10-22(21)33-17-23(29)26-19-11-12-19/h2-10,18-19H,11-17H2,1H3,(H,26,29)/t18-/m0/s1