1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl(o-tolyl)methyl]-1,4-diazepane Formula: C21H24N2S MolecularWeight: 336.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C21H24N2S/c1-16-7-2-3-8-17(16)21(23-13-6-11-22-12-14-23)19-15-24-20-10-5-4-9-18(19)20/h2-5,7-10,15,21-22H,6,11-14H2,1H3