N-(3-bromophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioamide Formula: C19H20BrN4S+ MolecularWeight: 416.3579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrN4S/c20-17-2-1-3-18(12-17)22-19(25)24-10-8-23(9-11-24)14-16-6-4-15(13-21)5-7-16/h1-7,12H,8-11,14H2,(H,22,25)/p+1