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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]ethanone Formula: C20H23N5OS3 MolecularWeight: 445.62452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H23N5OS3/c1-15-22-16(13-28-15)12-24-7-3-8-25(10-9-24)19(26)14-29-20-21-6-5-17(23-20)18-4-2-11-27-18/h2,4-6,11,13H,3,7-10,12,14H2,1H3