2-[3-(5-chloranyl-1H-indol-2-yl)propanethioyl]-2-(methylamino)piperidine-1-carboxylic acid

Systemtic Name: 2-[3-(5-chloranyl-1H-indol-2-yl)propanethioyl]-2-(methylamino)piperidine-1-carboxylic acid Openeye Name: 2-[3-(5-chloro-1H-indol-2-yl)propanethioyl]-2-(methylamino)piperidine-1-carboxylic acid CAS Name: 2-[3-(5-chloro-1H-indol-2-yl)-1-sulfanylidenepropyl]-2-(methylamino)-1-piperidinecarboxylic acid IUPAC Name: 2-[3-(5-chloro-1H-indol-2-yl)propanethioyl]-2-(methylamino)piperidine-1-carboxylic acid Traditional Name: 2-[3-(5-chloro-1H-indol-2-yl)propanethioyl]-2-(methylamino)piperidine-1-carboxylic acid Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(CCCCN1C(=O)O)C(=S)CCC2=CC3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CNC1(CCCCN1C(=O)O)C(=S)CCC2=CC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-20-18(8-2-3-9-22(18)17(23)24)16(25)7-5-14-11-12-10-13(19)4-6-15(12)21-14/h4,6,10-11,20-21H,2-3,5,7-9H2,1H3,(H,23,24)