(2E)-2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazolidin-2-ylidene)-3-(8-oxidanyl-8aH-quinolin-1-yl)quinolin-8-one

Systemtic Name: (2E)-2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazolidin-2-ylidene)-3-(8-oxidanyl-8aH-quinolin-1-yl)quinolin-8-one Openeye Name: (2E)-2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazolidin-2-ylidene)-3-(8-hydroxy-8aH-quinolin-1-yl)quinolin-8-one CAS Name: (2E)-2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazolidin-2-ylidene)-3-(8-hydroxy-8aH-quinolin-1-yl)-8-quinolinone IUPAC Name: (2E)-2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazolidin-2-ylidene)-3-(8-hydroxy-8aH-quinolin-1-yl)quinolin-8-one Traditional Name: (2E)-2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazolidin-2-ylidene)-3-(8-hydroxy-8aH-quinolin-1-yl)quinolin-8-one Formula: C27H27N5O2S MolecularWeight: 485.60058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=C3C(=CC4=CC=CC(=O)C4=N3)N5C=CC=C6C5C(=CC=C6)O)N1

Isomeric SMILES

CN1C(=NC2CCCCC2)S/C(=C/3\C(=CC4=CC=CC(=O)C4=N3)N5C=CC=C6C5C(=CC=C6)O)/N1

InChI

InChI=1S/C27H27N5O2S/c1-31-27(28-19-11-3-2-4-12-19)35-26(30-31)24-20(16-18-9-6-13-21(33)23(18)29-24)32-15-7-10-17-8-5-14-22(34)25(17)32/h5-10,13-16,19,25,30,34H,2-4,11-12H2,1H3/b26-24+,28-27?