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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)-1-azepanyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one Formula: C24H28N2O2S MolecularWeight: 408.55632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H28N2O2S/c1-28-19-15-13-18(14-16-19)21-9-3-2-6-17-26(21)24(27)12-7-11-23-25-20-8-4-5-10-22(20)29-23/h4-5,8,10,13-16,21H,2-3,6-7,9,11-12,17H2,1H3