1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C18H23BrN2OS MolecularWeight: 395.35702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCCNCC3

InChI

InChI=1S/C18H23BrN2OS/c1-2-22-16-7-6-14(19)13-15(16)18(17-5-3-12-23-17)21-10-4-8-20-9-11-21/h3,5-7,12-13,18,20H,2,4,8-11H2,1H3