ethyl 2-[[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2-hydroxy-2,2-diphenyl-acetyl)amino]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2-hydroxy-1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-hydroxy-2,2-diphenylacetyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(benziloylamino)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C26H27N3O4S2/c1-2-33-23(30)21-19-15-9-10-16-20(19)35-22(21)27-25(34)29-28-24(31)26(32,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,32H,2,9-10,15-16H2,1H3,(H,28,31)(H2,27,29,34)