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

Systemtic Name: 3-[3-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C22H26N6O2S2/c1-16(21(30)27-13-11-26(12-14-27)17-6-3-2-4-7-17)32-22-25-24-20(18-8-5-15-31-18)28(22)10-9-19(23)29/h2-8,15-16H,9-14H2,1H3,(H2,23,29)