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

Systemtic Name: N-(3-methoxyphenyl)-4-[2-[(3-methoxyphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-[2-[(3-methoxyphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]ethyl]-N-(3-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-[2-[(3-methoxyphenyl)carbamothioylamino]ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-[2-[(3-methoxyphenyl)thiocarbamoylamino]ethyl]piperazin-4-ium-1-carbothioamide Formula: C22H30N5O2S2+ MolecularWeight: 460.6359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NCC[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29N5O2S2/c1-28-19-7-3-5-17(15-19)24-21(30)23-9-10-26-11-13-27(14-12-26)22(31)25-18-6-4-8-20(16-18)29-2/h3-8,15-16H,9-14H2,1-2H3,(H,25,31)(H2,23,24,30)/p+1