3-diethylphosphorylsulfanyl-1-[3-[diethylphosphorylsulfanylcarbamoyl-(phenylmethyl)amino]-2-oxidanyl-propyl]-1-(phenylmethyl)urea

Systemtic Name: 3-diethylphosphorylsulfanyl-1-[3-[diethylphosphorylsulfanylcarbamoyl-(phenylmethyl)amino]-2-oxidanyl-propyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-[3-[benzyl(diethylphosphorylsulfanylcarbamoyl)amino]-2-hydroxy-propyl]-3-diethylphosphorylsulfanyl-urea CAS Name: 3-(diethylphosphorylthio)-1-[3-[[[(diethylphosphorylthio)amino]-oxomethyl]-(phenylmethyl)amino]-2-hydroxypropyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-[3-[benzyl(diethylphosphorylsulfanylcarbamoyl)amino]-2-hydroxypropyl]-3-diethylphosphorylsulfanylurea Traditional Name: 1-benzyl-1-[3-[benzyl-[(diethylphosphorylthio)carbamoyl]amino]-2-hydroxy-propyl]-3-(diethylphosphorylthio)urea Formula: C27H42N4O5P2S2 MolecularWeight: 628.723702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)SNC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)NSP(=O)(CC)CC)O

Isomeric SMILES

CCP(=O)(CC)SNC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)NSP(=O)(CC)CC)O

InChI

InChI=1S/C27H42N4O5P2S2/c1-5-37(35,6-2)39-28-26(33)30(19-23-15-11-9-12-16-23)21-25(32)22-31(20-24-17-13-10-14-18-24)27(34)29-40-38(36,7-3)8-4/h9-18,25,32H,5-8,19-22H2,1-4H3,(H,28,33)(H,29,34)