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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-p-anisyl-1,4-diazepan-1-yl)ethanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S2/c1-27-18-9-7-17(8-10-18)15-24-11-4-12-25(14-13-24)21(26)16-28-22-23-19-5-2-3-6-20(19)29-22/h2-3,5-10H,4,11-16H2,1H3