1-[(2-bromophenyl)-(3-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(3-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(3-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(3-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H21BrN2S MolecularWeight: 365.33104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=C2Br)N3CCCNCC3

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=C2Br)N3CCCNCC3

InChI

InChI=1S/C17H21BrN2S/c1-13-7-12-21-17(13)16(14-5-2-3-6-15(14)18)20-10-4-8-19-9-11-20/h2-3,5-7,12,16,19H,4,8-11H2,1H3