azepan-1-yl-[1-(3-phenylsulfanylpyrazin-2-yl)piperidin-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-(3-phenylsulfanylpyrazin-2-yl)piperidin-3-yl]methanone Openeye Name: azepan-1-yl-[1-(3-phenylsulfanylpyrazin-2-yl)-3-piperidyl]methanone CAS Name: 1-azepanyl-[1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-phenylsulfanylpyrazin-2-yl)piperidin-3-yl]methanone Traditional Name: azepan-1-yl-[1-[3-(phenylthio)pyrazin-2-yl]-3-piperidyl]methanone Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H28N4OS/c27-22(25-14-6-1-2-7-15-25)18-9-8-16-26(17-18)20-21(24-13-12-23-20)28-19-10-4-3-5-11-19/h3-5,10-13,18H,1-2,6-9,14-17H2