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

Systemtic Name: 1-(4-bromophenyl)-3-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)thiourea Openeye Name: 1-(4-bromophenyl)-3-(tert-butyl-morpholino-phenyl-$l^{5}-phosphanylidene)thiourea CAS Name: 1-(4-bromophenyl)-3-[tert-butyl-(4-morpholinyl)-phenylphosphoranylidene]thiourea IUPAC Name: 1-(4-bromophenyl)-3-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)thiourea Traditional Name: 1-(4-bromophenyl)-3-(tert-butyl-morpholino-phenyl-phosphoranylidene)thiourea Formula: C21H27BrN3OPS MolecularWeight: 480.401341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC=C(C=C1)Br)(C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)[P@@](=NC(=S)NC1=CC=C(C=C1)Br)(C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H27BrN3OPS/c1-21(2,3)27(19-7-5-4-6-8-19,25-13-15-26-16-14-25)24-20(28)23-18-11-9-17(22)10-12-18/h4-12H,13-16H2,1-3H3,(H,23,28)/t27-/m1/s1