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

Systemtic Name: 4-methyl-N-(4-phenylazanylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H22N4S/c1-21-11-13-22(14-12-21)18(23)20-17-9-7-16(8-10-17)19-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3,(H,20,23)/p+1