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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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