methyl 2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-isobutoxybenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-isobutoxybenzoyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C21H24N2O4S2/c1-12(2)11-27-14-7-4-6-13(10-14)18(24)22-21(28)23-19-17(20(25)26-3)15-8-5-9-16(15)29-19/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H2,22,23,24,28)