4-[2-[[2,6-bis(oxidanylidene)-4-thiophen-2-yl-cyclohexyl]methylideneamino]ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[[2,6-bis(oxidanylidene)-4-thiophen-2-yl-cyclohexyl]methylideneamino]ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[[2,6-dioxo-4-(2-thienyl)cyclohexyl]methyleneamino]ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(2,6-dioxo-4-thiophen-2-ylcyclohexyl)methylideneamino]ethyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(2,6-dioxo-4-thiophen-2-ylcyclohexyl)methylideneamino]ethyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[[2,6-diketo-4-(2-thienyl)cyclohexyl]methyleneamino]ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3

InChI

InChI=1S/C20H28N4O2S2/c1-2-22-20(27)24-9-7-23(8-10-24)6-5-21-14-16-17(25)12-15(13-18(16)26)19-4-3-11-28-19/h3-4,11,14-16H,2,5-10,12-13H2,1H3,(H,22,27)/p+1