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

Systemtic Name: 1-(2-methylpropyl)-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-[2-(4-methylthiazol-2-yl)sulfanylacetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[2-[(4-methyl-2-thiazolyl)thio]-1-oxoethyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[2-[(4-methylthiazol-2-yl)thio]acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H28N4O3S2 MolecularWeight: 448.60202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=N3

InChI

InChI=1S/C21H28N4O3S2/c1-15(2)8-24-9-18(28-12-17-6-4-5-7-22-17)10-25(11-19(24)26)20(27)14-30-21-23-16(3)13-29-21/h4-7,13,15,18H,8-12,14H2,1-3H3