3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C23H26N2O2S MolecularWeight: 394.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N2O2S/c1-27-18-12-10-17(11-13-18)20-8-3-2-6-16-25(20)23(26)15-14-22-24-19-7-4-5-9-21(19)28-22/h4-5,7,9-13,20H,2-3,6,8,14-16H2,1H3/t20-/m1/s1