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

Systemtic Name: (phenylmethyl) 4-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(1-amino-3-methylsulfanyl-propyl)thiazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-amino-3-(methylthio)propyl]-4-thiazolyl]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-amino-3-(methylthio)propyl]thiazole-4-carbonyl]piperazine-1-carboxylic acid benzyl ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S2/c1-28-12-7-16(21)18-22-17(14-29-18)19(25)23-8-10-24(11-9-23)20(26)27-13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,21H2,1H3