N-(4-phenylazanylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-phenylazanylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-benzyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-benzylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-benzyl-piperazin-4-ium-1-carbothioamide Formula: C24H27N4S+ MolecularWeight: 403.56298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C24H26N4S/c29-24(28-17-15-27(16-18-28)19-20-7-3-1-4-8-20)26-23-13-11-22(12-14-23)25-21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,26,29)/p+1