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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C19H25BrN2OS MolecularWeight: 409.3836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2OS/c1-3-23-17-6-5-15(20)12-16(17)19(18-11-14(2)13-24-18)22-9-4-7-21-8-10-22/h5-6,11-13,19,21H,3-4,7-10H2,1-2H3