N-bis[(3Z)-2-morpholin-4-yl-3-(phenylmethylidene)cyclopenten-1-yl]phosphinothioyl-4-methyl-aniline

Systemtic Name: N-bis[(3Z)-2-morpholin-4-yl-3-(phenylmethylidene)cyclopenten-1-yl]phosphinothioyl-4-methyl-aniline Openeye Name: N-bis[(3Z)-3-benzylidene-2-morpholino-cyclopenten-1-yl]phosphinothioyl-4-methyl-aniline CAS Name: N-[bis[(3Z)-2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclopentenyl]phosphinothioyl]-4-methylaniline IUPAC Name: N-bis[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]phosphinothioyl-4-methylaniline Traditional Name: bis[(3Z)-3-benzal-2-morpholino-cyclopenten-1-yl]thiophosphoryl-(p-tolyl)amine Formula: C39H44N3O2PS MolecularWeight: 649.824321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NP(=S)(C2=C(C(=CC3=CC=CC=C3)CC2)N4CCOCC4)C5=C(C(=CC6=CC=CC=C6)CC5)N7CCOCC7

Isomeric SMILES

CC1=CC=C(C=C1)NP(=S)(C2=C(/C(=C\C3=CC=CC=C3)/CC2)N4CCOCC4)C5=C(/C(=C\C6=CC=CC=C6)/CC5)N7CCOCC7

InChI

InChI=1S/C39H44N3O2PS/c1-30-12-16-35(17-13-30)40-45(46,36-18-14-33(28-31-8-4-2-5-9-31)38(36)41-20-24-43-25-21-41)37-19-15-34(29-32-10-6-3-7-11-32)39(37)42-22-26-44-27-23-42/h2-13,16-17,28-29H,14-15,18-27H2,1H3,(H,40,46)/b33-28-,34-29-