1-[1-benzothiophen-3-yl-(2,4-dichlorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(2,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(2,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(2,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C20H20Cl2N2S MolecularWeight: 391.3572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CNCCN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C20H20Cl2N2S/c21-14-6-7-16(18(22)12-14)20(24-10-3-8-23-9-11-24)17-13-25-19-5-2-1-4-15(17)19/h1-2,4-7,12-13,20,23H,3,8-11H2