3-(1,2-dithiophen-2-ylethylamino)azepan-2-one

Systemtic Name: 3-(1,2-dithiophen-2-ylethylamino)azepan-2-one Openeye Name: 3-[1,2-bis(2-thienyl)ethylamino]azepan-2-one CAS Name: 3-(1,2-dithiophen-2-ylethylamino)-2-azepanone IUPAC Name: 3-(1,2-dithiophen-2-ylethylamino)azepan-2-one Traditional Name: 3-[1,2-bis(2-thienyl)ethylamino]azepan-2-one Formula: C16H20N2OS2 MolecularWeight: 320.4728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(CC2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C16H20N2OS2/c19-16-13(6-1-2-8-17-16)18-14(15-7-4-10-21-15)11-12-5-3-9-20-12/h3-5,7,9-10,13-14,18H,1-2,6,8,11H2,(H,17,19)