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

Systemtic Name: 1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]ethanone Formula: C19H21N5OS3 MolecularWeight: 431.59794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC4=NC=CS4

InChI

InChI=1S/C19H21N5OS3/c25-18(14-28-19-21-5-4-15(22-19)16-3-1-11-26-16)24-8-2-7-23(9-10-24)13-17-20-6-12-27-17/h1,3-6,11-12H,2,7-10,13-14H2