(phenylmethyl) 4-[[2-(1-azanyl-3-methyl-butyl)-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[2-(1-azanyl-3-methyl-butyl)-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1-amino-3-methylbutyl)-4-thiazolyl]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(1-amino-3-methylbutyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-amino-3-methyl-butyl)thiazole-4-carbonyl]piperazine-1-carboxylic acid benzyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC(=CS1)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C1=NC(=CS1)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H28N4O3S/c1-15(2)12-17(22)19-23-18(14-29-19)20(26)24-8-10-25(11-9-24)21(27)28-13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,22H2,1-2H3