1-[1-benzothiophen-3-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C22H26N2S MolecularWeight: 350.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

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