1-azanyl-3-[4-(1,2-dithiolan-3-yl)butyl]urea; diphenyl hydrogen phosphate

Systemtic Name: 1-azanyl-3-[4-(1,2-dithiolan-3-yl)butyl]urea; diphenyl hydrogen phosphate Openeye Name: 1-amino-3-[4-(dithiolan-3-yl)butyl]urea; diphenyl hydrogen phosphate CAS Name: 1-amino-3-[4-(3-dithiolanyl)butyl]urea; diphenyl hydrogen phosphate IUPAC Name: 1-amino-3-[4-(dithiolan-3-yl)butyl]urea; diphenyl hydrogen phosphate Traditional Name: 1-amino-3-[4-(dithiolan-3-yl)butyl]urea; diphenyl hydrogen phosphate Formula: C20H28N3O5PS2 MolecularWeight: 485.557181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCNC(=O)NN.C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

Isomeric SMILES

C1CSSC1CCCCNC(=O)NN.C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

InChI

InChI=1S/C12H11O4P.C8H17N3OS2/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;9-11-8(12)10-5-2-1-3-7-4-6-13-14-7/h1-10H,(H,13,14);7H,1-6,9H2,(H2,10,11,12)