1-[2-azanyl-4-(diphenylmethyl)-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-piperazin-1-yl]propan-1-one

Systemtic Name: 1-[2-azanyl-4-(diphenylmethyl)-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-piperazin-1-yl]propan-1-one Openeye Name: 1-[2-amino-4-benzhydryl-3-[(3-diisopropoxyphosphoryl-2-pyridyl)sulfanyl]piperazin-1-yl]propan-1-one CAS Name: 1-[2-amino-4-(diphenylmethyl)-3-[[3-di(propan-2-yloxy)phosphoryl-2-pyridinyl]thio]-1-piperazinyl]-1-propanone IUPAC Name: 1-[2-amino-4-benzhydryl-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanylpiperazin-1-yl]propan-1-one Traditional Name: 1-[2-amino-4-benzhydryl-3-[(3-diisopropoxyphosphoryl-2-pyridyl)thio]piperazino]propan-1-one Formula: C31H41N4O4PS MolecularWeight: 596.720401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1N)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(C1N)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/C31H41N4O4PS/c1-6-27(36)34-20-21-35(28(24-14-9-7-10-15-24)25-16-11-8-12-17-25)31(29(34)32)41-30-26(18-13-19-33-30)40(37,38-22(2)3)39-23(4)5/h7-19,22-23,28-29,31H,6,20-21,32H2,1-5H3