(phenylmethyl) 2-[[4-azanyl-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]carbonyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-azanyl-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]carbonyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-amino-2-(3H-benzimidazol-5-ylamino)thiazole-5-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-amino-2-(3H-benzimidazol-5-ylamino)-5-thiazolyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazole-5-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-amino-2-(3H-benzimidazol-5-ylamino)thiazole-5-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3=C(N=C(S3)NC4=CC5=C(C=C4)N=CN5)N

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3=C(N=C(S3)NC4=CC5=C(C=C4)N=CN5)N

InChI

InChI=1S/C23H22N6O3S/c24-21-20(33-22(28-21)27-15-8-9-16-17(11-15)26-13-25-16)19(30)18-7-4-10-29(18)23(31)32-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,18H,4,7,10,12,24H2,(H,25,26)(H,27,28)