3-(1,3-benzothiazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-p-anisyl-1,4-diazepan-1-yl)propan-1-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-28-19-9-7-18(8-10-19)17-25-13-4-14-26(16-15-25)23(27)12-11-22-24-20-5-2-3-6-21(20)29-22/h2-3,5-10H,4,11-17H2,1H3