2-[4-[[azepan-1-yl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-[[azepan-1-yl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole Openeye Name: 2-[4-[[azepan-1-yl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole CAS Name: 2-[4-[[1-azepanyl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-[[azepan-1-yl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole Traditional Name: 2-[4-[[azepan-1-yl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole Formula: C22H27N2O2PS MolecularWeight: 414.500741

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCC4

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCC4

InChI

InChI=1S/C22H27N2O2PS/c1-2-26-27(25,24-15-7-3-4-8-16-24)17-18-11-13-19(14-12-18)22-23-20-9-5-6-10-21(20)28-22/h5-6,9-14H,2-4,7-8,15-17H2,1H3