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

Systemtic Name: 2-methylpropyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]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)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C23H30N6O3S2 MolecularWeight: 502.6527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C23H30N6O3S2/c1-5-17(19(30)26-22-25-15(4)18(34-22)20(31)32-13-14(2)3)29-21(24)27-28-23(29)33-12-11-16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3,(H2,24,27)(H,25,26,30)