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

Systemtic Name: (phenylmethyl) 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H26N6O3S2 MolecularWeight: 522.64234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O3S2/c1-16-20(22(33)34-15-19-11-7-4-8-12-19)36-24(27-16)28-21(32)17(2)31-23(26)29-30-25(31)35-14-13-18-9-5-3-6-10-18/h3-12,17H,13-15H2,1-2H3,(H2,26,29)(H,27,28,32)