3-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate

Systemtic Name: 3-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate Openeye Name: 3-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate CAS Name: 3-[2-[4-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]ethylimino]-5,5-dimethyl-1-cyclohexenolate IUPAC Name: 3-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethylcyclohexen-1-olate Traditional Name: 3-[2-[4-[(4-carbethoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CCN=C3CC(CC(=C3)[O-])(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CCN=C3CC(CC(=C3)[O-])(C)C

InChI

InChI=1S/C24H34N4O3S/c1-4-31-22(30)18-5-7-19(8-6-18)26-23(32)28-13-11-27(12-14-28)10-9-25-20-15-21(29)17-24(2,3)16-20/h5-8,15,29H,4,9-14,16-17H2,1-3H3,(H,26,32)