3-[4-ethyl-5-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H28N6O2S/c1-3-26-18(10-9-17(21)27)22-23-20(26)29-15(2)19(28)25-13-11-24(12-14-25)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H2,21,27)/t15-/m1/s1