ethyl 2-(phenylcarbonylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate

Systemtic Name: ethyl 2-(phenylcarbonylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)spiro[5,7-dihydro-4H-benzothiophene-6,1'-cyclohexane]-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-3-spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)spiro[5,7-dihydro-4H-benzothiophene-6,1'-cyclohexane]-3-carboxylic acid ethyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3(C2)CCCCC3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3(C2)CCCCC3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3S2/c1-2-29-22(28)19-17-11-14-24(12-7-4-8-13-24)15-18(17)31-21(19)26-23(30)25-20(27)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H2,25,26,27,30)