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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C19H23N5OS2 MolecularWeight: 401.54882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H23N5OS2/c1-15-20-16(14-27-15)12-22-6-3-7-23(10-9-22)19(25)13-24-8-5-17(21-24)18-4-2-11-26-18/h2,4-5,8,11,14H,3,6-7,9-10,12-13H2,1H3