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

Systemtic Name: 1-(4-methyl-2-phenylazanyl-pentanethioyl)piperazine-2-carboxylic acid Openeye Name: 1-(2-anilino-4-methyl-pentanethioyl)piperazine-2-carboxylic acid CAS Name: 1-(2-anilino-4-methyl-1-sulfanylidenepentyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(2-anilino-4-methylpentanethioyl)piperazine-2-carboxylic acid Traditional Name: 1-(2-anilino-4-methyl-pentanethioyl)piperazine-2-carboxylic acid Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)N1CCNCC1C(=O)O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=S)N1CCNCC1C(=O)O)NC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2S/c1-12(2)10-14(19-13-6-4-3-5-7-13)16(23)20-9-8-18-11-15(20)17(21)22/h3-7,12,14-15,18-19H,8-11H2,1-2H3,(H,21,22)