[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C20H23N3O3S2/c1-14-7-10-23(11-8-14)20(27)28-13-19(25)26-12-18(24)22-17-6-2-5-16-15(17)4-3-9-21-16/h2-6,9,14H,7-8,10-13H2,1H3,(H,22,24)