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

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-p-phenetyl-4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H21N5O3S2/c1-2-31-18-11-9-17(10-12-18)25-22(30)15-5-7-16(8-6-15)24-20(29)14-33-23-26-21(27-28-23)19-4-3-13-32-19/h3-13H,2,14H2,1H3,(H,24,29)(H,25,30)(H,26,27,28)