1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]piperidine-2-thione

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]piperidine-2-thione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]piperidine-2-thione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-piperidinethione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]piperidine-2-thione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]piperidine-2-thione Formula: C21H23N2O2PS2 MolecularWeight: 430.523281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCC4=S

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCC4=S

InChI

InChI=1S/C21H23N2O2PS2/c1-2-25-26(24,23-14-6-5-9-20(23)27)15-16-10-12-17(13-11-16)21-22-18-7-3-4-8-19(18)28-21/h3-4,7-8,10-13H,2,5-6,9,14-15H2,1H3