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

Systemtic Name: 1-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(tert-butyl-morpholino-phenyl-$l^{5}-phosphanylidene)-3-(3-nitrophenyl)thiourea CAS Name: 1-[tert-butyl-(4-morpholinyl)-phenylphosphoranylidene]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(tert-butyl-morpholino-phenyl-phosphoranylidene)-3-(3-nitrophenyl)thiourea Formula: C21H27N4O3PS MolecularWeight: 446.502841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-])(C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-])(C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H27N4O3PS/c1-21(2,3)29(19-10-5-4-6-11-19,24-12-14-28-15-13-24)23-20(30)22-17-8-7-9-18(16-17)25(26)27/h4-11,16H,12-15H2,1-3H3,(H,22,30)