1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C18H21N7OS3 MolecularWeight: 447.60064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(S3)NCCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(S3)NCCC4=CC=CS4

InChI

InChI=1S/C18H21N7OS3/c26-15(24-8-10-25(11-9-24)16-19-5-2-6-20-16)13-28-18-23-22-17(29-18)21-7-4-14-3-1-12-27-14/h1-3,5-6,12H,4,7-11,13H2,(H,21,22)