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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-2-3-9-17(22)19-23-18(15-29-19)20(26)24-10-12-25(13-11-24)21(27)28-14-16-7-5-4-6-8-16/h4-8,15,17H,2-3,9-14,22H2,1H3