2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-N-methyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-N-methyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide CAS Name: 2-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]imino]-N-methyl-1-(3-quinolinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[(2S)-2-(methoxymethyl)pyrrolidino]imino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=NN2CCCC2COC)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1=NN2CCC[C@H]2COC)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H30N4OS/c1-24-22(29)23(18-14-17-8-3-4-10-20(17)25-15-18)12-6-5-11-21(23)26-27-13-7-9-19(27)16-28-2/h3-4,8,10,14-15,19H,5-7,9,11-13,16H2,1-2H3,(H,24,29)/t19-,23?/m0/s1