1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-methyl-1-benzothiophen-2-yl)ethanone

Systemtic Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-methyl-1-benzothiophen-2-yl)ethanone Openeye Name: 1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-2-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-(3-methyl-1-benzothiophen-2-yl)ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 1-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-(3-methylbenzothiophen-2-yl)ethanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C21H24N2O2S/c1-16-18-7-2-3-8-19(18)26-20(16)14-21(24)23-10-5-9-22(11-12-23)15-17-6-4-13-25-17/h2-4,6-8,13H,5,9-12,14-15H2,1H3