tert-butyl N-[4-(diphenylmethyl)-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-1-propanoyl-piperazin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-(diphenylmethyl)-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-1-propanoyl-piperazin-2-yl]carbamate Openeye Name: tert-butyl N-[4-benzhydryl-3-[(3-diisopropoxyphosphoryl-2-pyridyl)sulfanyl]-1-propanoyl-piperazin-2-yl]carbamate CAS Name: N-[4-(diphenylmethyl)-3-[[3-di(propan-2-yloxy)phosphoryl-2-pyridinyl]thio]-1-(1-oxopropyl)-2-piperazinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-benzhydryl-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-1-propanoylpiperazin-2-yl]carbamate Traditional Name: N-[4-benzhydryl-3-[(3-diisopropoxyphosphoryl-2-pyridyl)thio]-1-propionyl-piperazin-2-yl]carbamic acid tert-butyl ester Formula: C36H49N4O6PS MolecularWeight: 696.836221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)OC(C)(C)C)SC2=C(C=CC=N2)P(=O)(OC(C)C)OC(C)C)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)OC(C)(C)C)SC2=C(C=CC=N2)P(=O)(OC(C)C)OC(C)C)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C36H49N4O6PS/c1-9-30(41)39-23-24-40(31(27-17-12-10-13-18-27)28-19-14-11-15-20-28)34(32(39)38-35(42)44-36(6,7)8)48-33-29(21-16-22-37-33)47(43,45-25(2)3)46-26(4)5/h10-22,25-26,31-32,34H,9,23-24H2,1-8H3,(H,38,42)