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4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide

4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide

Systemtic Name:4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide
Openeye Name:4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide
CAS Name:4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide
IUPAC Name:4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide
Traditional Name:4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N-(diethoxyphosphorylmethyl)benzamide
Formula: C21H26N3O4PS
MolecularWeight: 447.487601
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC(=O)C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3S2)OCC


Isomeric SMILES

CCOP(=O)(CNC(=O)C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3S2)OCC


InChI

InChI=1S/C21H26N3O4PS/c1-3-27-29(26,28-4-2)15-23-20(25)17-11-9-16(10-12-17)13-14-22-21-24-18-7-5-6-8-19(18)30-21/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)


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