N-phenyl-4-[2-(phenylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-phenyl-4-[2-(phenylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-phenyl-4-[2-(phenylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[[anilino(sulfanylidene)methyl]amino]ethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-phenyl-4-[2-(phenylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-phenyl-4-[2-(phenylthiocarbamoylamino)ethyl]piperazin-4-ium-1-carbothioamide Formula: C20H26N5S2+ MolecularWeight: 400.58394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=S)NC2=CC=CC=C2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=S)NC2=CC=CC=C2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N5S2/c26-19(22-17-7-3-1-4-8-17)21-11-12-24-13-15-25(16-14-24)20(27)23-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,23,27)(H2,21,22,26)/p+1