1-[(5-bromanylthiophen-2-yl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Formula: C20H27BrN2O2S MolecularWeight: 439.40958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O2S/c1-3-24-16-7-6-15(14-17(16)25-4-2)20(18-8-9-19(21)26-18)23-12-5-10-22-11-13-23/h6-9,14,20,22H,3-5,10-13H2,1-2H3