N-(4-bromanyl-2-chloranyl-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-mesylbenzyl)-1,4-diazepane-1-carbothioamide Formula: C20H23BrClN3O2S2 MolecularWeight: 516.90252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C20H23BrClN3O2S2/c1-29(26,27)17-6-3-15(4-7-17)14-24-9-2-10-25(12-11-24)20(28)23-19-8-5-16(21)13-18(19)22/h3-8,13H,2,9-12,14H2,1H3,(H,23,28)