(2E)-2-[3-(tert-butylamino)-2-oxidanyl-propoxy]imino-N-methyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (2E)-2-[3-(tert-butylamino)-2-oxidanyl-propoxy]imino-N-methyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (2E)-2-[3-(tert-butylamino)-2-hydroxy-propoxy]imino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide CAS Name: (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]imino-N-methyl-1-(3-quinolinyl)-1-cyclohexanecarbothioamide IUPAC Name: (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]imino-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide Traditional Name: (2E)-2-[3-(tert-butylamino)-2-hydroxy-propyl]oximino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CON=C1CCCCC1(C2=CC3=CC=CC=C3N=C2)C(=S)NC)O

Isomeric SMILES

CC(C)(C)NCC(CO/N=C/1\CCCCC1(C2=CC3=CC=CC=C3N=C2)C(=S)NC)O

InChI

InChI=1S/C24H34N4O2S/c1-23(2,3)27-15-19(29)16-30-28-21-11-7-8-12-24(21,22(31)25-4)18-13-17-9-5-6-10-20(17)26-14-18/h5-6,9-10,13-14,19,27,29H,7-8,11-12,15-16H2,1-4H3,(H,25,31)/b28-21+