ethyl 2-(phenylcarbonylcarbamothioylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: ethyl 2-(phenylcarbonylcarbamothioylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid ethyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S2/c1-2-28-22(27)19-18-16-11-7-6-8-14(16)12-13-17(18)30-21(19)25-23(29)24-20(26)15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H2,24,25,26,29)