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

Systemtic Name: 1-[(4-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H21BrN2S MolecularWeight: 365.33104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(C=C2)Br)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(C=C2)Br)N3CCCNCC3

InChI

InChI=1S/C17H21BrN2S/c1-13-3-8-16(21-13)17(14-4-6-15(18)7-5-14)20-11-2-9-19-10-12-20/h3-8,17,19H,2,9-12H2,1H3