N-[diethylamino-[2-morpholin-4-yl-3-(phenylmethylidene)cyclohexen-1-yl]phosphinothioyl]-N-ethyl-ethanamine

Systemtic Name: N-[diethylamino-[2-morpholin-4-yl-3-(phenylmethylidene)cyclohexen-1-yl]phosphinothioyl]-N-ethyl-ethanamine Openeye Name: N-[(3-benzylidene-2-morpholino-cyclohexen-1-yl)-(diethylamino)phosphinothioyl]-N-ethyl-ethanamine CAS Name: N-[diethylamino-[2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclohexenyl]phosphinothioyl]-N-ethylethanamine IUPAC Name: N-[(3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl)-(diethylamino)phosphinothioyl]-N-ethylethanamine Traditional Name: [(3-benzal-2-morpholino-cyclohexen-1-yl)-(diethylamino)thiophosphoryl]-diethyl-amine Formula: C25H40N3OPS MolecularWeight: 461.643361

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)P(=S)(C1=C(C(=CC2=CC=CC=C2)CCC1)N3CCOCC3)N(CC)CC

Isomeric SMILES

CCN(CC)P(=S)(C1=C(C(=CC2=CC=CC=C2)CCC1)N3CCOCC3)N(CC)CC

InChI

InChI=1S/C25H40N3OPS/c1-5-27(6-2)30(31,28(7-3)8-4)24-16-12-15-23(21-22-13-10-9-11-14-22)25(24)26-17-19-29-20-18-26/h9-11,13-14,21H,5-8,12,15-20H2,1-4H3