1-[(3-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)Br)N3CCCNCC3

Isomeric SMILES

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

InChI

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