methyl 2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-methyl-3-nitro-benzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-9-6-7-10(8-12(9)22(25)26)15(23)20-21-18(28)19-16-14(17(24)27-2)11-4-3-5-13(11)29-16/h6-8H,3-5H2,1-2H3,(H,20,23)(H2,19,21,28)