N-(3-chloranyl-2-methyl-phenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H22ClN4S+ MolecularWeight: 385.93348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21ClN4S/c1-15-18(21)3-2-4-19(15)23-20(26)25-11-9-24(10-12-25)14-17-7-5-16(13-22)6-8-17/h2-8H,9-12,14H2,1H3,(H,23,26)/p+1