N-(4-chloranyl-2-methyl-phenyl)-4-[2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-4-[2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-4-[2-[(4-chloro-2-methyl-phenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[[(4-chloro-2-methylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(4-chloro-2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chloro-2-methylphenyl)-4-[2-[(4-chloro-2-methylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-4-[2-[(4-chloro-2-methyl-phenyl)thiocarbamoylamino]ethyl]piperazin-4-ium-1-carbothioamide Formula: C22H28Cl2N5S2+ MolecularWeight: 497.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H27Cl2N5S2/c1-15-13-17(23)3-5-19(15)26-21(30)25-7-8-28-9-11-29(12-10-28)22(31)27-20-6-4-18(24)14-16(20)2/h3-6,13-14H,7-12H2,1-2H3,(H,27,31)(H2,25,26,30)/p+1