3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide

Systemtic Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C22H26N6O2S2/c1-27-15-24-26-22(27)32-14-20(29)25-17-7-4-6-16(12-17)21(30)23-13-18(19-8-5-11-31-19)28-9-2-3-10-28/h4-8,11-12,15,18H,2-3,9-10,13-14H2,1H3,(H,23,30)(H,25,29)