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

Systemtic Name: 2-[(4-butylphenyl)carbamothioyl]-5,5-dimethyl-3-(phenylmethyl)imino-cyclohexen-1-olate Openeye Name: 3-benzylimino-2-[(4-butylphenyl)carbamothioyl]-5,5-dimethyl-cyclohexen-1-olate CAS Name: 2-[(4-butylanilino)-sulfanylidenemethyl]-5,5-dimethyl-3-(phenylmethyl)imino-1-cyclohexenolate IUPAC Name: 3-benzylimino-2-[(4-butylphenyl)carbamothioyl]-5,5-dimethylcyclohexen-1-olate Traditional Name: 3-benzylimino-2-[(4-butylphenyl)thiocarbamoyl]-5,5-dimethyl-cyclohexen-1-olate Formula: C26H31N2OS- MolecularWeight: 419.60214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=NCC3=CC=CC=C3)(C)C)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=NCC3=CC=CC=C3)(C)C)[O-]

InChI

InChI=1S/C26H32N2OS/c1-4-5-9-19-12-14-21(15-13-19)28-25(30)24-22(16-26(2,3)17-23(24)29)27-18-20-10-7-6-8-11-20/h6-8,10-15,29H,4-5,9,16-18H2,1-3H3,(H,28,30)/p-1