methyl 6-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]hexanoate CAS Name: 6-[[[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]hexanoate Traditional Name: 6-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC2=C(S1)CCCCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC2=C(S1)CCCCC2

InChI

InChI=1S/C18H27N3O3S2/c1-24-16(22)10-6-3-7-11-19-18(25)21-20-17(23)15-12-13-8-4-2-5-9-14(13)26-15/h12H,2-11H2,1H3,(H,20,23)(H2,19,21,25)