1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-4-ethyl-piperazine-2,3-dione

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-4-ethyl-piperazine-2,3-dione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-4-ethyl-piperazine-2,3-dione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-4-ethylpiperazine-2,3-dione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-4-ethylpiperazine-2,3-dione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]-4-ethyl-piperazine-2,3-quinone Formula: C22H24N3O4PS MolecularWeight: 457.482421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)P(=O)(CC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCN1CCN(C(=O)C1=O)P(=O)(CC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C22H24N3O4PS/c1-3-24-13-14-25(22(27)21(24)26)30(28,29-4-2)15-16-9-11-17(12-10-16)20-23-18-7-5-6-8-19(18)31-20/h5-12H,3-4,13-15H2,1-2H3