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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C18H23BrN2S MolecularWeight: 379.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(S2)Br)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(S2)Br)N3CCCNCC3)C

InChI

InChI=1S/C18H23BrN2S/c1-13-10-14(2)12-15(11-13)18(16-4-5-17(19)22-16)21-8-3-6-20-7-9-21/h4-5,10-12,18,20H,3,6-9H2,1-2H3