2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-isonicotinoyl-1,4-diazepan-1-yl)ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O3S/c25-18(14-28-20-22-16-4-1-2-5-17(16)27-20)23-10-3-11-24(13-12-23)19(26)15-6-8-21-9-7-15/h1-2,4-9H,3,10-14H2