2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: N-(isobutylcarbamoyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: N-(isobutylcarbamoyl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H32N6O2S MolecularWeight: 444.59348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(=O)NCC(C)C)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(=O)NCC(C)C)N3CCCCC3

InChI

InChI=1S/C22H32N6O2S/c1-15(2)14-23-20(30)24-19(29)17(4)31-22-26-25-21(27-12-6-5-7-13-27)28(22)18-10-8-16(3)9-11-18/h8-11,15,17H,5-7,12-14H2,1-4H3,(H2,23,24,29,30)