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

Systemtic Name: 2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole Openeye Name: 2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole CAS Name: 2-[1-azepanyl(phenyl)phosphoryl]-1,3-benzothiazole IUPAC Name: 2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole Traditional Name: 2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole Formula: C19H21N2OPS MolecularWeight: 356.421601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)P(=O)(C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)P(=O)(C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N2OPS/c22-23(16-10-4-3-5-11-16,21-14-8-1-2-9-15-21)19-20-17-12-6-7-13-18(17)24-19/h3-7,10-13H,1-2,8-9,14-15H2