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

Systemtic Name: N-(2-propan-2-ylphenyl)-4-[2-[(2-propan-2-ylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-isopropylphenyl)-4-[2-[(2-isopropylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(2-propan-2-ylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-propan-2-ylphenyl)-4-[2-[(2-propan-2-ylphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-o-cumenyl-4-[2-(o-cumenylthiocarbamoylamino)ethyl]piperazin-4-ium-1-carbothioamide Formula: C26H38N5S2+ MolecularWeight: 484.74342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C(C)C

InChI

InChI=1S/C26H37N5S2/c1-19(2)21-9-5-7-11-23(21)28-25(32)27-13-14-30-15-17-31(18-16-30)26(33)29-24-12-8-6-10-22(24)20(3)4/h5-12,19-20H,13-18H2,1-4H3,(H,29,33)(H2,27,28,32)/p+1