N-(3-methylphenyl)-4-[2-[(3-methylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-[2-[(3-methylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(m-tolyl)-4-[2-(m-tolylcarbamothioylamino)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methylphenyl)-4-[2-[(3-methylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(m-tolyl)-4-[2-(m-tolylthiocarbamoylamino)ethyl]piperazin-4-ium-1-carbothioamide Formula: C22H30N5S2+ MolecularWeight: 428.6371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H29N5S2/c1-17-5-3-7-19(15-17)24-21(28)23-9-10-26-11-13-27(14-12-26)22(29)25-20-8-4-6-18(2)16-20/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)(H2,23,24,28)/p+1