tert-butyl 4-[4-[[4-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenoxy]methyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenoxy]methyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-[[cyano(methyl)carbamoyl]-isopentyl-carbamoyl]phenoxy]methyl]thiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-[[[[cyano(methyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenoxy]methyl]-2-thiazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenoxy]methyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-[[cyano(methyl)carbamoyl]-isoamyl-carbamoyl]phenoxy]methyl]thiazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H38N6O5S MolecularWeight: 570.70352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N(C)C#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N(C)C#N

InChI

InChI=1S/C28H38N6O5S/c1-20(2)11-12-34(26(36)31(6)19-29)24(35)21-7-9-23(10-8-21)38-17-22-18-40-25(30-22)32-13-15-33(16-14-32)27(37)39-28(3,4)5/h7-10,18,20H,11-17H2,1-6H3