1-[bis(4-tert-butylphenoxy)phosphinothioylamino]-3-(2-methoxy-4-nitro-phenyl)urea

Systemtic Name: 1-[bis(4-tert-butylphenoxy)phosphinothioylamino]-3-(2-methoxy-4-nitro-phenyl)urea Openeye Name: 1-[bis(4-tert-butylphenoxy)phosphinothioylamino]-3-(2-methoxy-4-nitro-phenyl)urea CAS Name: 1-[bis(4-tert-butylphenoxy)phosphinothioylamino]-3-(2-methoxy-4-nitrophenyl)urea IUPAC Name: 1-[bis(4-tert-butylphenoxy)phosphinothioylamino]-3-(2-methoxy-4-nitrophenyl)urea Traditional Name: 1-[bis(4-tert-butylphenoxy)thiophosphorylamino]-3-(2-methoxy-4-nitro-phenyl)urea Formula: C28H35N4O6PS MolecularWeight: 586.639461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OP(=S)(NNC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OP(=S)(NNC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H35N4O6PS/c1-27(2,3)19-8-13-22(14-9-19)37-39(40,38-23-15-10-20(11-16-23)28(4,5)6)31-30-26(33)29-24-17-12-21(32(34)35)18-25(24)36-7/h8-18H,1-7H3,(H,31,40)(H2,29,30,33)