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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-ethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-ethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(4-ethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(4-ethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(4-ethylphenyl)methyl]-1,4-diazepane Formula: C22H26N2S MolecularWeight: 350.52024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C22H26N2S/c1-2-17-8-10-18(11-9-17)22(24-14-5-12-23-13-15-24)20-16-25-21-7-4-3-6-19(20)21/h3-4,6-11,16,22-23H,2,5,12-15H2,1H3