methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H18N4O2S2 MolecularWeight: 362.46972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

InChI

InChI=1S/C16H18N4O2S2/c1-8-7-9(2)18-15(17-8)20-16(23)19-13-12(14(21)22-3)10-5-4-6-11(10)24-13/h7H,4-6H2,1-3H3,(H2,17,18,19,20,23)