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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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