1-[(1-methylpyrazol-4-yl)methyl]-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiazol-2-yl)sulfanylacetyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[2-[(4-methyl-2-thiazolyl)thio]-1-oxoethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[2-[(4-methylthiazol-2-yl)thio]acetyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)N2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)N2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CC=NC=C4

InChI

InChI=1S/C22H26N6O3S2/c1-16-14-32-22(25-16)33-15-21(30)28-11-19(31-13-17-3-5-23-6-4-17)10-27(20(29)12-28)9-18-7-24-26(2)8-18/h3-8,14,19H,9-13,15H2,1-2H3