(3E)-3-(4-azanylidene-2-morpholin-4-yl-1,3-thiazol-5-ylidene)-7-ethoxy-4,5-dipropyl-isoindol-1-amine

Systemtic Name: (3E)-3-(4-azanylidene-2-morpholin-4-yl-1,3-thiazol-5-ylidene)-7-ethoxy-4,5-dipropyl-isoindol-1-amine Openeye Name: (3E)-7-ethoxy-3-(4-imino-2-morpholino-thiazol-5-ylidene)-4,5-dipropyl-isoindol-1-amine CAS Name: (3E)-7-ethoxy-3-[4-imino-2-(4-morpholinyl)-5-thiazolylidene]-4,5-dipropyl-1-isoindolamine IUPAC Name: (3E)-7-ethoxy-3-(4-imino-2-morpholin-4-yl-1,3-thiazol-5-ylidene)-4,5-dipropylisoindol-1-amine Traditional Name: [(3E)-7-ethoxy-3-(4-imino-2-morpholino-2-thiazolin-5-ylidene)-4,5-dipropyl-isoindol-1-yl]amine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1CCC)C(=C3C(=N)N=C(S3)N4CCOCC4)N=C2N)OCC

Isomeric SMILES

CCCC1=CC(=C2C(=C1CCC)/C(=C\3/C(=N)N=C(S3)N4CCOCC4)/N=C2N)OCC

InChI

InChI=1S/C23H31N5O2S/c1-4-7-14-13-16(30-6-3)18-17(15(14)8-5-2)19(26-21(18)24)20-22(25)27-23(31-20)28-9-11-29-12-10-28/h13,25H,4-12H2,1-3H3,(H2,24,26)/b20-19+,25-22?