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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

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