4-[2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]methylideneamino]ethyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]methylideneamino]ethyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[2-[(2,6-dioxo-4-phenyl-cyclohexyl)methyleneamino]ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(2,6-dioxo-4-phenylcyclohexyl)methylideneamino]ethyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(2,6-dioxo-4-phenylcyclohexyl)methylideneamino]ethyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-[2-[(2,6-diketo-4-phenyl-cyclohexyl)methyleneamino]ethyl]piperazin-4-ium-1-carbothioamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-2-8-25-23(30)27-13-11-26(12-14-27)10-9-24-17-20-21(28)15-19(16-22(20)29)18-6-4-3-5-7-18/h2-7,17,19-20H,1,8-16H2,(H,25,30)/p+1