N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]acetamide Formula: C21H30N6O2S2 MolecularWeight: 462.6319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C21H30N6O2S2/c1-21(2,3)22-17(28)13-25-8-10-26(11-9-25)18(29)14-31-20-24-23-19(16-5-4-12-30-16)27(20)15-6-7-15/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,22,28)