1-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(5-ethyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(5-ethyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(5-ethyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H23BrN2S MolecularWeight: 379.35762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=C(C=C2)Br)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=C(C=C2)Br)N3CCCNCC3

InChI

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