1-[(5-bromanylthiophen-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C17H21BrN2S MolecularWeight: 365.33104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

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