1-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(tert-butyl-morpholino-phenyl-$l^{5}-phosphanylidene)-3-(3-pyridylmethyl)thiourea CAS Name: 1-[tert-butyl-(4-morpholinyl)-phenylphosphoranylidene]-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(tert-butyl-morpholino-phenyl-phosphoranylidene)-3-(3-pyridylmethyl)thiourea Formula: C21H29N4OPS MolecularWeight: 416.519921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NCC1=CN=CC=C1)(C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)[P@](=NC(=S)NCC1=CN=CC=C1)(C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H29N4OPS/c1-21(2,3)27(19-9-5-4-6-10-19,25-12-14-26-15-13-25)24-20(28)23-17-18-8-7-11-22-16-18/h4-11,16H,12-15,17H2,1-3H3,(H,23,28)/t27-/m0/s1