2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-(4-p-anisyl-1,4-diazepan-1-yl)ethanone Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S/c1-28-19-9-7-18(8-10-19)15-25-11-4-12-26(14-13-25)23(27)17-29-16-22-24-20-5-2-3-6-21(20)30-22/h2-3,5-10H,4,11-17H2,1H3