3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]azepan-2-one Openeye Name: 3-[1-(3-methylbenzothiophen-2-yl)ethylamino]azepan-2-one CAS Name: 3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]azepan-2-one Traditional Name: 3-[1-(3-methylbenzothiophen-2-yl)ethylamino]azepan-2-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(C)NC3CCCCNC3=O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(C)NC3CCCCNC3=O

InChI

InChI=1S/C17H22N2OS/c1-11-13-7-3-4-9-15(13)21-16(11)12(2)19-14-8-5-6-10-18-17(14)20/h3-4,7,9,12,14,19H,5-6,8,10H2,1-2H3,(H,18,20)