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

Systemtic Name: N-cyclopropyl-2-[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)N5CCCCC5

InChI

InChI=1S/C26H30N6O2S/c1-18-9-13-20(14-10-18)32-25(31-15-5-2-6-16-31)29-30-26(32)35-17-23(33)28-22-8-4-3-7-21(22)24(34)27-19-11-12-19/h3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,1H3,(H,27,34)(H,28,33)