2-(2,3-dihydro-1H-inden-2-ylamino)-N-(4-ethoxyphenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide

Systemtic Name: 2-(2,3-dihydro-1H-inden-2-ylamino)-N-(4-ethoxyphenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-2-(indan-2-ylamino)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: 2-(2,3-dihydro-1H-inden-2-ylamino)-N-(4-ethoxyphenyl)-4,4-dimethyl-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: 2-(2,3-dihydro-1H-inden-2-ylamino)-N-(4-ethoxyphenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: 2-(indan-2-ylamino)-6-keto-4,4-dimethyl-N-p-phenetyl-cyclohexene-1-carbothioamide Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NC3CC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C26H30N2O2S/c1-4-30-21-11-9-19(10-12-21)28-25(31)24-22(15-26(2,3)16-23(24)29)27-20-13-17-7-5-6-8-18(17)14-20/h5-12,20,27H,4,13-16H2,1-3H3,(H,28,31)