N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-2-chloranyl-ethanamine

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-2-chloranyl-ethanamine Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-2-chloro-ethanamine CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-chloroethanamine IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-chloroethanamine Traditional Name: [[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]-(2-chloroethyl)amine Formula: C18H20ClN2O2PS MolecularWeight: 394.855361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)NCCCl

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)NCCCl

InChI

InChI=1S/C18H20ClN2O2PS/c1-2-23-24(22,20-12-11-19)13-14-7-9-15(10-8-14)18-21-16-5-3-4-6-17(16)25-18/h3-10H,2,11-13H2,1H3,(H,20,22)