2-butylsulfanyl-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-butylsulfanyl-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-butylsulfanyl-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide CAS Name: 2-(butylthio)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-butylsulfanyl-N-(1-diethoxyphosphoryl-2-phenylethyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-(butylthio)-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide Formula: C23H31N2O5PS3 MolecularWeight: 542.671401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)P(=O)(OCC)OCC

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)P(=O)(OCC)OCC

InChI

InChI=1S/C23H31N2O5PS3/c1-4-7-15-32-23-24-20-14-13-19(17-21(20)33-23)34(27,28)25-22(16-18-11-9-8-10-12-18)31(26,29-5-2)30-6-3/h8-14,17,22,25H,4-7,15-16H2,1-3H3