N-cyclopropyl-3-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

InChI

InChI=1S/C22H23N5O2S2/c28-20(23-16-4-1-3-14(11-16)21(29)24-15-6-7-15)13-31-22-26-25-19(27(22)17-8-9-17)12-18-5-2-10-30-18/h1-5,10-11,15,17H,6-9,12-13H2,(H,23,28)(H,24,29)