2-methylpropyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C22H28N6O3S2 MolecularWeight: 488.62612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OCC(C)C

InChI

InChI=1S/C22H28N6O3S2/c1-13(2)12-31-19(30)17-14(3)24-21(33-17)25-18(29)15(4)28-20(23)26-27-22(28)32-11-10-16-8-6-5-7-9-16/h5-9,13,15H,10-12H2,1-4H3,(H2,23,26)(H,24,25,29)