4-methyl-1-(4-methyl-2-phenylazanyl-pentanethioyl)piperazine-2-carboxylic acid

Systemtic Name: 4-methyl-1-(4-methyl-2-phenylazanyl-pentanethioyl)piperazine-2-carboxylic acid Openeye Name: 1-(2-anilino-4-methyl-pentanethioyl)-4-methyl-piperazine-2-carboxylic acid CAS Name: 1-(2-anilino-4-methyl-1-sulfanylidenepentyl)-4-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(2-anilino-4-methylpentanethioyl)-4-methylpiperazine-2-carboxylic acid Traditional Name: 1-(2-anilino-4-methyl-pentanethioyl)-4-methyl-piperazine-2-carboxylic acid Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)N1CCN(CC1C(=O)O)C)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=S)N1CCN(CC1C(=O)O)C)NC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-13(2)11-15(19-14-7-5-4-6-8-14)17(24)21-10-9-20(3)12-16(21)18(22)23/h4-8,13,15-16,19H,9-12H2,1-3H3,(H,22,23)