ethyl 2-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(benzothiophene-3-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(benzothiophene-3-carbonylamino)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S3 MolecularWeight: 473.63132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C3=CSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3S3/c1-2-28-21(27)18-14-9-4-3-5-11-17(14)31-20(18)23-22(29)25-24-19(26)15-12-30-16-10-7-6-8-13(15)16/h6-8,10,12H,2-5,9,11H2,1H3,(H,24,26)(H2,23,25,29)