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

Systemtic Name: ethyl 2-[(phenylmethyl)carbamothioylamino]spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)spiro[5,7-dihydro-4H-benzothiophene-6,1'-cyclohexane]-3-carboxylate CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)spiro[5,7-dihydro-4H-benzothiophene-6,1'-cyclohexane]-3-carboxylic acid ethyl ester Formula: C24H30N2O2S2 MolecularWeight: 442.6372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3(C2)CCCCC3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3(C2)CCCCC3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O2S2/c1-2-28-22(27)20-18-11-14-24(12-7-4-8-13-24)15-19(18)30-21(20)26-23(29)25-16-17-9-5-3-6-10-17/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,25,26,29)