1-(azepan-1-yl)-2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(benzothiopheno[3,2-d]pyrimidin-4-ylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-([1]benzothiolo[3,2-d]pyrimidin-4-ylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(benzothiopheno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC3=C2SC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC3=C2SC4=CC=CC=C43

InChI

InChI=1S/C18H19N3OS2/c22-15(21-9-5-1-2-6-10-21)11-23-18-17-16(19-12-20-18)13-7-3-4-8-14(13)24-17/h3-4,7-8,12H,1-2,5-6,9-11H2