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

Systemtic Name: N-(diethoxyphosphorylmethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanamide Openeye Name: N-(diethoxyphosphorylmethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide CAS Name: N-(diethoxyphosphorylmethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide IUPAC Name: N-(diethoxyphosphorylmethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide Traditional Name: N-(diethoxyphosphorylmethyl)-2-[4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide Formula: C21H26N3O4PS MolecularWeight: 447.487601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O4PS/c1-4-27-29(26,28-5-2)14-22-20(25)13-16-7-9-17(10-8-16)23-21-24-18-11-6-15(3)12-19(18)30-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,25)(H,23,24)