2-(3-piperidin-1-ylcarbothioylindol-1-yl)ethanoic acid

Systemtic Name: 2-(3-piperidin-1-ylcarbothioylindol-1-yl)ethanoic acid Openeye Name: 2-[3-(piperidine-1-carbothioyl)indol-1-yl]acetic acid CAS Name: 2-[3-[1-piperidinyl(sulfanylidene)methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-(piperidine-1-carbothioyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(piperidine-1-carbothioyl)indol-1-yl]acetic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

C1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C16H18N2O2S/c19-15(20)11-18-10-13(12-6-2-3-7-14(12)18)16(21)17-8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,19,20)