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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC3=C(S2)CCCCC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC3=C(S2)CCCCC3)C

InChI

InChI=1S/C20H25N3O3S3/c1-4-13-11(2)28-18(16(13)19(25)26-3)21-20(27)23-22-17(24)15-10-12-8-6-5-7-9-14(12)29-15/h10H,4-9H2,1-3H3,(H,22,24)(H2,21,23,27)