N-(2-diethoxyphosphorylethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanamide

Systemtic Name: N-(2-diethoxyphosphorylethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanamide Openeye Name: N-(2-diethoxyphosphorylethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide CAS Name: N-(2-diethoxyphosphorylethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide IUPAC Name: N-(2-diethoxyphosphorylethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide Traditional Name: N-(2-diethoxyphosphorylethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide Formula: C22H28N3O4PS MolecularWeight: 461.514181

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCNC(=O)CC1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)(CCNC(=O)CC1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)C)OCC

InChI

InChI=1S/C22H28N3O4PS/c1-4-28-30(27,29-5-2)13-12-23-21(26)15-17-7-9-18(10-8-17)24-22-25-19-11-6-16(3)14-20(19)31-22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,26)(H,24,25)