2-pyrimidin-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-pyrimidin-2-ylsulfanyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-pyrimidinylthio)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-pyrimidin-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-pyrimidylthio)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC3=CSC=C3

InChI

InChI=1S/C16H20N4OS2/c21-15(13-23-16-17-4-1-5-18-16)20-7-2-6-19(8-9-20)11-14-3-10-22-12-14/h1,3-5,10,12H,2,6-9,11,13H2