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

Systemtic Name: tert-butyl 4-[4-[4-[[cyanomethyl(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[[cyanomethyl(methyl)carbamoyl]-isopentyl-carbamoyl]phenyl]thiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[4-[[[[cyanomethyl(methyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]-2-thiazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[[cyanomethyl(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[[cyanomethyl(methyl)carbamoyl]-isoamyl-carbamoyl]phenyl]thiazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H38N6O4S MolecularWeight: 554.70412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N(C)CC#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N(C)CC#N

InChI

InChI=1S/C28H38N6O4S/c1-20(2)11-13-34(26(36)31(6)14-12-29)24(35)22-9-7-21(8-10-22)23-19-39-25(30-23)32-15-17-33(18-16-32)27(37)38-28(3,4)5/h7-10,19-20H,11,13-18H2,1-6H3