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

Systemtic Name: (phenylmethyl) 4-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(1-aminobutyl)thiazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1-aminobutyl)-4-thiazolyl]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-aminobutyl)thiazole-4-carbonyl]piperazine-1-carboxylic acid benzyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-2-6-16(21)18-22-17(14-28-18)19(25)23-9-11-24(12-10-23)20(26)27-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13,21H2,1H3