1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-[2-(2-thienyl)thiazol-4-yl]ethanone CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-4-thiazolyl)ethanone IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-(4-p-anisyl-1,4-diazepan-1-yl)-2-[2-(2-thienyl)thiazol-4-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)CC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CSC(=N3)C4=CC=CS4

InChI

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