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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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