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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

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