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

Systemtic Name: N-bis[(3Z)-2-morpholin-4-yl-3-(phenylmethylidene)cyclopenten-1-yl]phosphinothioyl-N-ethyl-ethanamine Openeye Name: N-bis[(3Z)-3-benzylidene-2-morpholino-cyclopenten-1-yl]phosphinothioyl-N-ethyl-ethanamine CAS Name: N-[bis[(3Z)-2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclopentenyl]phosphinothioyl]-N-ethylethanamine IUPAC Name: N-bis[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]phosphinothioyl-N-ethylethanamine Traditional Name: bis[(3Z)-3-benzal-2-morpholino-cyclopenten-1-yl]thiophosphoryl-diethyl-amine Formula: C36H46N3O2PS MolecularWeight: 615.808101

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)P(=S)(C1=C(C(=CC2=CC=CC=C2)CC1)N3CCOCC3)C4=C(C(=CC5=CC=CC=C5)CC4)N6CCOCC6

Isomeric SMILES

CCN(P(=S)(C1=C(/C(=C\C2=CC=CC=C2)/CC1)N3CCOCC3)C4=C(/C(=C\C5=CC=CC=C5)/CC4)N6CCOCC6)CC

InChI

InChI=1S/C36H46N3O2PS/c1-3-39(4-2)42(43,33-17-15-31(27-29-11-7-5-8-12-29)35(33)37-19-23-40-24-20-37)34-18-16-32(28-30-13-9-6-10-14-30)36(34)38-21-25-41-26-22-38/h5-14,27-28H,3-4,15-26H2,1-2H3/b31-27-,32-28-