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

Systemtic Name: 1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(3-thenyl)-1,4-diazepan-1-yl]-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]ethanone Formula: C20H22N4OS3 MolecularWeight: 430.60988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC4=CSC=C4

InChI

InChI=1S/C20H22N4OS3/c25-19(15-28-20-21-6-4-17(22-20)18-3-1-11-27-18)24-8-2-7-23(9-10-24)13-16-5-12-26-14-16/h1,3-6,11-12,14H,2,7-10,13,15H2