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

Systemtic Name: (2R)-N-aminocarbonyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-carbamoyl-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-carbamoyl-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-carbamoyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-carbamoyl-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C(=O)NC(=O)N)N3CCCCC3

InChI

InChI=1S/C18H24N6O2S/c1-12-6-8-14(9-7-12)24-17(23-10-4-3-5-11-23)21-22-18(24)27-13(2)15(25)20-16(19)26/h6-9,13H,3-5,10-11H2,1-2H3,(H3,19,20,25,26)/t13-/m1/s1