1-[(5-bromanylthiophen-2-yl)-(5-chloranyl-2-ethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(5-chloranyl-2-ethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(5-chloro-2-ethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(5-chloro-2-ethoxy-phenyl)methyl]-1,4-diazepane Formula: C18H22BrClN2OS MolecularWeight: 429.80208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

InChI=1S/C18H22BrClN2OS/c1-2-23-15-5-4-13(20)12-14(15)18(16-6-7-17(19)24-16)22-10-3-8-21-9-11-22/h4-7,12,18,21H,2-3,8-11H2,1H3