N-(phenylmethyl)-4-[2-[(phenylmethyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-[2-[(phenylmethyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[2-(benzylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(phenylmethyl)-4-[2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[2-(benzylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-[2-(benzylthiocarbamoylamino)ethyl]piperazin-4-ium-1-carbothioamide Formula: C22H30N5S2+ MolecularWeight: 428.6371

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=S)NCC2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=S)NCC2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H29N5S2/c28-21(24-17-19-7-3-1-4-8-19)23-11-12-26-13-15-27(16-14-26)22(29)25-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,29)(H2,23,24,28)/p+1