N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C20H23N7OS2 MolecularWeight: 441.57292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7OS2/c1-2-18-24-25-20(30-18)23-17(28)13-29-19-12-16(21-14-22-19)27-10-8-26(9-11-27)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,23,25,28)