N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-diphenylphosphoryl-ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-diphenylphosphoryl-ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphoryl-acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphorylacetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphorylacetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphoryl-acetamide Formula: C21H16ClN2O2PS MolecularWeight: 426.855701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN2O2PS/c22-15-11-12-18-19(13-15)28-21(23-18)24-20(25)14-27(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24,25)