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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(4-isopropylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-p-cumenyl-methyl]-1,4-diazepane Formula: C19H25BrN2S MolecularWeight: 393.3842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2S/c1-14(2)15-4-6-16(7-5-15)19(17-8-9-18(20)23-17)22-12-3-10-21-11-13-22/h4-9,14,19,21H,3,10-13H2,1-2H3