ethyl 2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-(4-phenyl-1-piperazinyl)-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 2-[[5-(4-phenylpiperazino)-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(S1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(S1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S2/c1-3-15(16(23)24-4-2)25-18-20-19-17(26-18)22-12-10-21(11-13-22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3