N-[4-[2-[4-(4-acetamidophenyl)carbothioylpiperazin-1-ium-1-yl]ethylcarbamothioyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[4-(4-acetamidophenyl)carbothioylpiperazin-1-ium-1-yl]ethylcarbamothioyl]phenyl]ethanamide Openeye Name: N-[4-[2-[4-(4-acetamidobenzenecarbothioyl)piperazin-1-ium-1-yl]ethylcarbamothioyl]phenyl]acetamide CAS Name: N-[4-[[2-[4-[(4-acetamidophenyl)-sulfanylidenemethyl]-1-piperazin-1-iumyl]ethylamino]-sulfanylidenemethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(4-acetamidobenzenecarbothioyl)piperazin-1-ium-1-yl]ethylcarbamothioyl]phenyl]acetamide Traditional Name: N-[4-[2-[4-(4-acetamidothiobenzoyl)piperazin-1-ium-1-yl]ethylthiocarbamoyl]phenyl]acetamide Formula: C24H30N5O2S2+ MolecularWeight: 484.6573

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=S)NCC[NH+]2CCN(CC2)C(=S)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=S)NCC[NH+]2CCN(CC2)C(=S)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H29N5O2S2/c1-17(30)26-21-7-3-19(4-8-21)23(32)25-11-12-28-13-15-29(16-14-28)24(33)20-5-9-22(10-6-20)27-18(2)31/h3-10H,11-16H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)/p+1