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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-isopropylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl(p-cumenyl)methyl]-1,4-diazepane Formula: C23H28N2S MolecularWeight: 364.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C23H28N2S/c1-17(2)18-8-10-19(11-9-18)23(25-14-5-12-24-13-15-25)21-16-26-22-7-4-3-6-20(21)22/h3-4,6-11,16-17,23-24H,5,12-15H2,1-2H3