4-[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[2-methyl-5-[2-(2-pyridylamino)thiazol-5-yl]sulfanyl-benzoyl]piperazine-1-carbaldehyde CAS Name: 4-[[2-methyl-5-[[2-(2-pyridinylamino)-5-thiazolyl]thio]phenyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-methyl-5-[[2-(2-pyridylamino)thiazol-5-yl]thio]benzoyl]piperazine-1-carbaldehyde Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N4CCN(CC4)C=O

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N4CCN(CC4)C=O

InChI

InChI=1S/C21H21N5O2S2/c1-15-5-6-16(12-17(15)20(28)26-10-8-25(14-27)9-11-26)29-19-13-23-21(30-19)24-18-4-2-3-7-22-18/h2-7,12-14H,8-11H2,1H3,(H,22,23,24)