2-[(4-ethoxycarbonylphenyl)carbamothioyl]-5,5-dimethyl-3-(phenylmethyl)imino-cyclohexen-1-olate

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)carbamothioyl]-5,5-dimethyl-3-(phenylmethyl)imino-cyclohexen-1-olate Openeye Name: 3-benzylimino-2-[(4-ethoxycarbonylphenyl)carbamothioyl]-5,5-dimethyl-cyclohexen-1-olate CAS Name: 2-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-5,5-dimethyl-3-(phenylmethyl)imino-1-cyclohexenolate IUPAC Name: 3-benzylimino-2-[(4-ethoxycarbonylphenyl)carbamothioyl]-5,5-dimethylcyclohexen-1-olate Traditional Name: 3-benzylimino-2-[(4-carbethoxyphenyl)thiocarbamoyl]-5,5-dimethyl-cyclohexen-1-olate Formula: C25H27N2O3S- MolecularWeight: 435.55848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=NCC3=CC=CC=C3)(C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=NCC3=CC=CC=C3)(C)C)[O-]

InChI

InChI=1S/C25H28N2O3S/c1-4-30-24(29)18-10-12-19(13-11-18)27-23(31)22-20(14-25(2,3)15-21(22)28)26-16-17-8-6-5-7-9-17/h5-13,28H,4,14-16H2,1-3H3,(H,27,31)/p-1