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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: N-(isopropylcarbamoyl)-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-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: N-(isopropylcarbamoyl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O2S/c1-14(2)22-19(29)23-18(28)16(4)30-21-25-24-20(26-12-6-5-7-13-26)27(21)17-10-8-15(3)9-11-17/h8-11,14,16H,5-7,12-13H2,1-4H3,(H2,22,23,28,29)