N-[1-[2-[(2S)-4-ethyl-2-methyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[1-[2-[(2S)-4-ethyl-2-methyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[2-[(2S)-4-ethyl-2-methyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[2-[(2S)-4-ethyl-2-methyl-3-oxo-1-piperazinyl]-2-oxoethyl]-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[2-[(2S)-4-ethyl-2-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-[2-[(2S)-4-ethyl-3-keto-2-methyl-piperazino]-2-keto-ethyl]pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1=O)C)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCN1CCN([C@H](C1=O)C)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3S/c1-3-23-9-10-25(15(2)20(23)28)19(27)13-24-12-16(11-21-24)22-18(26)14-29-17-7-5-4-6-8-17/h4-8,11-12,15H,3,9-10,13-14H2,1-2H3,(H,22,26)/t15-/m0/s1