4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C23H26N6O2S MolecularWeight: 450.55654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C23H26N6O2S/c1-16(21(31)25-18-12-10-17(11-13-18)20(24)30)32-23-27-26-22(28-14-6-3-7-15-28)29(23)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H2,24,30)(H,25,31)