2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfanyl-N-(diethoxyphosphorylmethyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfanyl-N-(diethoxyphosphorylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfanyl-N-(diethoxyphosphorylmethyl)acetamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylamino)phenyl]thio]-N-(diethoxyphosphorylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfanyl-N-(diethoxyphosphorylmethyl)acetamide Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylamino)phenyl]thio]-N-(diethoxyphosphorylmethyl)acetamide Formula: C20H24N3O4PS2 MolecularWeight: 465.526021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC(=O)CSC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOP(=O)(CNC(=O)CSC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C20H24N3O4PS2/c1-3-26-28(25,27-4-2)14-21-19(24)13-29-16-11-9-15(10-12-16)22-20-23-17-7-5-6-8-18(17)30-20/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23)