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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C16H17BrCl2N2S MolecularWeight: 420.19458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(S3)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrCl2N2S/c17-15-5-4-14(22-15)16(21-8-1-6-20-7-9-21)12-3-2-11(18)10-13(12)19/h2-5,10,16,20H,1,6-9H2