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

Systemtic Name: (2E)-N-methyl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]imino-1-quinolin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (2E)-2-[2-hydroxy-3-(isopropylamino)propoxy]imino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide CAS Name: (2E)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]imino-N-methyl-1-(3-quinolinyl)-1-cyclohexanecarbothioamide IUPAC Name: (2E)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]imino-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide Traditional Name: (2E)-2-[2-hydroxy-3-(isopropylamino)propyl]oximino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide Formula: C23H32N4O2S MolecularWeight: 428.59078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2S/c1-16(2)25-14-19(28)15-29-27-21-10-6-7-11-23(21,22(30)24-3)18-12-17-8-4-5-9-20(17)26-13-18/h4-5,8-9,12-13,16,19,25,28H,6-7,10-11,14-15H2,1-3H3,(H,24,30)/b27-21+